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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:36:52 UTC

HMDB ID

HMDB0000739

Secondary Accession Numbers

HMDB00739

Metabolite Identification

Common Name

Isodesmosine

Description

Isodesmosine, also known as Ide, belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Based on a literature review a significant number of articles have been published on Isodesmosine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652305231919522D          

 37 37  0  0  0  0            999 V2000
   24.4335  -12.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4335  -19.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -12.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5784  -14.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4349  -21.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7190  -18.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8639  -16.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1494  -19.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2914  -16.5128    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.4335  -14.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -18.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1494  -14.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0060  -20.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5770  -16.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5770  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -16.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2914  -17.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0060  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0060  -17.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -17.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0060  -16.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2914  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7205  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0060  -18.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -14.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -17.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4349  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7205  -18.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -13.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -18.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1494  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7205  -19.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -12.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4335  -18.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8639  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4349  -20.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 34  2  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 35  2  0  0  0  0
  7 36  2  0  0  0  0
  8 37  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  CHG  1   9   1
M  END

HMDB0000739
     RDKit          3D
Isodesmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    5.8451    2.4028    0.9887 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    1.0238    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    0.2000    0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    0.6939   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -0.0962    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    0.4538   -0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.2252   -0.9549 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.1969   -1.2992   -1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830   -1.9891   -1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -3.1692   -2.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.4275   -2.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -5.5772   -2.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -5.6255   -3.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -6.8091   -2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573   -6.8967   -2.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -7.8668   -2.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949   -1.6022   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.5075   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582   -0.2154    0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.8678    2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637   -0.4747    3.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0098    0.9813    3.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -1.0403    4.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -2.2854    4.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331   -0.2487    5.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405    0.1674   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845    1.3705    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504    2.5286   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    3.7640    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    4.9110    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353    6.0709    1.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605    5.2444   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    4.4776   -2.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    6.4607   -1.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6834    0.8685   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251   -0.2663   -1.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.9821   -1.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6749    2.9604    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956    2.3916    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9870    0.6757    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511    0.2201    1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856   -0.8437    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    1.7609    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915    0.6936   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -1.1435   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -0.0398    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    0.3469   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    1.5264   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.5667   -2.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -3.3019   -2.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -3.0112   -3.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -4.5679   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -4.3674   -1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -5.3086   -3.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901   -5.0470   -4.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -5.2012   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -7.7016   -2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -2.1487   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824   -0.7345    0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581    0.8253    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598   -0.5995    2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -1.9721    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9161   -0.8678    2.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    1.2439    4.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6994    1.3827    2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8804    0.0800    5.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    1.6537    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    1.2556    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    2.7072   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    2.3101   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    3.5760    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    4.0595    0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057    4.7331    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358    6.3357    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    5.7151    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    6.9422   -2.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    2.9159   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 18 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 32 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 26  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  8 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 16 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 25 66  1  0
 27 67  1  0
 27 68  1  0
 28 69  1  0
 28 70  1  0
 29 71  1  0
 29 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END


  Mrv1652305231919522D          

 37 37  0  0  0  0            999 V2000
   24.4335  -12.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4335  -19.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -12.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5784  -14.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4349  -21.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7190  -18.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8639  -16.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1494  -19.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2914  -16.5128    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.4335  -14.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8625  -18.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   28.0060  -20.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5770  -16.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.4349  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7205  -18.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -13.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -18.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1494  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7205  -19.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1481  -12.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4335  -18.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8639  -15.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4349  -20.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
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  9 22  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  CHG  1   9   1
M  END
> <DATABASE_ID>
HMDB0000739

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1

> <INCHI_KEY>
RGXCTRIQQODGIZ-UHFFFAOYSA-O

> <FORMULA>
C24H40N5O8

> <MOLECULAR_WEIGHT>
526.6031

> <EXACT_MASS>
526.287688281

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
56.2969925513206

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-bis(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium

> <ALOGPS_LOGP>
-4.61

> <JCHEM_LOGP>
-13.823956962703773

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
1.4817920282861223

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0397294744455632

> <JCHEM_PKA_STRONGEST_BASIC>
10.123567041622112

> <JCHEM_POLAR_SURFACE_AREA>
257.16

> <JCHEM_REFRACTIVITY>
133.3518

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isodesmosine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000739
     RDKit          3D
Isodesmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    5.8451    2.4028    0.9887 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    1.0238    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    0.2000    0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    0.6939   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -0.0962    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    0.4538   -0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.2252   -0.9549 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.1969   -1.2992   -1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830   -1.9891   -1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -3.1692   -2.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.4275   -2.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -5.5772   -2.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -5.6255   -3.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -6.8091   -2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573   -6.8967   -2.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -7.8668   -2.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949   -1.6022   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.5075   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582   -0.2154    0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.8678    2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637   -0.4747    3.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0098    0.9813    3.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -1.0403    4.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -2.2854    4.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331   -0.2487    5.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405    0.1674   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845    1.3705    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504    2.5286   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    3.7640    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    4.9110    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353    6.0709    1.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605    5.2444   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    4.4776   -2.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    6.4607   -1.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6834    0.8685   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251   -0.2663   -1.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.9821   -1.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6749    2.9604    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956    2.3916    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9870    0.6757    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511    0.2201    1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856   -0.8437    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    1.7609    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915    0.6936   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -1.1435   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -0.0398    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    0.3469   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    1.5264   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.5667   -2.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -3.3019   -2.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -3.0112   -3.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -4.5679   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -4.3674   -1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -5.3086   -3.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901   -5.0470   -4.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -5.2012   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -7.7016   -2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -2.1487   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824   -0.7345    0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581    0.8253    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598   -0.5995    2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -1.9721    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9161   -0.8678    2.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    1.2439    4.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6994    1.3827    2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8804    0.0800    5.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    1.6537    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    1.2556    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    2.7072   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    2.3101   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    3.5760    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    4.0595    0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057    4.7331    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358    6.3357    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    5.7151    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    6.9422   -2.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    2.9159   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 18 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 32 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 26  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  8 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 16 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 25 66  1  0
 27 67  1  0
 27 68  1  0
 28 69  1  0
 28 70  1  0
 29 71  1  0
 29 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  O   UNK     0      45.609 -23.124   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      45.609 -36.984   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      48.277 -23.124   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      58.946 -27.744   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      54.945 -39.294   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      44.275 -34.674   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      57.613 -30.054   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      56.279 -36.984   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      50.944 -30.824   0.000  0.00  0.00           N+1
HETATM   10  N   UNK     0      45.609 -26.204   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      48.277 -35.444   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      56.279 -26.204   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      52.278 -37.754   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      49.610 -30.054   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      49.610 -28.514   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      48.277 -30.824   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      50.944 -32.364   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      48.277 -27.744   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      52.278 -28.514   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      52.278 -33.134   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      48.277 -32.364   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      52.278 -30.054   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      50.944 -27.744   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      53.612 -27.744   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      52.278 -34.674   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      48.277 -26.204   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      46.943 -33.134   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      54.945 -28.514   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      53.612 -35.444   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      46.943 -25.434   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      46.943 -34.674   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      56.279 -27.744   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      53.612 -36.984   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      46.943 -23.894   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      45.609 -35.444   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      57.613 -28.514   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      54.945 -37.754   0.000  0.00  0.00           C+0
CONECT    1   34                                                            
CONECT    2   35                                                            
CONECT    3   34                                                            
CONECT    4   36                                                            
CONECT    5   37                                                            
CONECT    6   35                                                            
CONECT    7   36                                                            
CONECT    8   37                                                            
CONECT    9   14   17   22                                                  
CONECT   10   30                                                            
CONECT   11   31                                                            
CONECT   12   32                                                            
CONECT   13   33                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14   18   23                                                  
CONECT   16   14   21                                                       
CONECT   17    9   20                                                       
CONECT   18   15   26                                                       
CONECT   19   22   23   24                                                  
CONECT   20   17   25                                                       
CONECT   21   16   27                                                       
CONECT   22    9   19                                                       
CONECT   23   15   19                                                       
CONECT   24   19   28                                                       
CONECT   25   20   29                                                       
CONECT   26   18   30                                                       
CONECT   27   21   31                                                       
CONECT   28   24   32                                                       
CONECT   29   25   33                                                       
CONECT   30   10   26   34                                                  
CONECT   31   11   27   35                                                  
CONECT   32   12   28   36                                                  
CONECT   33   13   29   37                                                  
CONECT   34    1    3   30                                                  
CONECT   35    2    6   31                                                  
CONECT   36    4    7   32                                                  
CONECT   37    5    8   33                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

COMPND    HMDB0000739
HETATM    1  N1  UNL     1       5.845   2.403   0.989  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.184   1.024   0.713  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.923   0.200   0.876  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.877   0.694  -0.097  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.591  -0.096   0.019  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.596   0.454  -0.981  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.345  -0.225  -0.955  1.00  0.00           N1+
HETATM    8  C6  UNL     1       0.197  -1.299  -1.798  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.983  -1.989  -1.802  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.172  -3.169  -2.720  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.721  -4.428  -2.004  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.936  -5.577  -2.983  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.330  -5.625  -3.311  1.00  0.00           N  
HETATM   14  C11 UNL     1      -0.442  -6.809  -2.350  1.00  0.00           C  
HETATM   15  O1  UNL     1       0.757  -6.897  -2.015  1.00  0.00           O  
HETATM   16  O2  UNL     1      -1.295  -7.867  -2.124  1.00  0.00           O  
HETATM   17  C12 UNL     1      -1.995  -1.602  -0.967  1.00  0.00           C  
HETATM   18  C13 UNL     1      -1.856  -0.508  -0.100  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.958  -0.215   0.820  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.775  -0.868   2.198  1.00  0.00           C  
HETATM   21  C16 UNL     1      -3.964  -0.475   3.029  1.00  0.00           C  
HETATM   22  N4  UNL     1      -4.010   0.981   3.145  1.00  0.00           N  
HETATM   23  C17 UNL     1      -3.811  -1.040   4.393  1.00  0.00           C  
HETATM   24  O3  UNL     1      -3.748  -2.285   4.547  1.00  0.00           O  
HETATM   25  O4  UNL     1      -3.733  -0.249   5.529  1.00  0.00           O  
HETATM   26  C18 UNL     1      -0.641   0.167  -0.132  1.00  0.00           C  
HETATM   27  C19 UNL     1      -0.485   1.370   0.718  1.00  0.00           C  
HETATM   28  C20 UNL     1      -1.150   2.529  -0.005  1.00  0.00           C  
HETATM   29  C21 UNL     1      -1.032   3.764   0.823  1.00  0.00           C  
HETATM   30  C22 UNL     1      -1.703   4.911   0.136  1.00  0.00           C  
HETATM   31  N5  UNL     1      -1.535   6.071   1.028  1.00  0.00           N  
HETATM   32  C23 UNL     1      -1.161   5.244  -1.174  1.00  0.00           C  
HETATM   33  O5  UNL     1      -1.241   4.478  -2.144  1.00  0.00           O  
HETATM   34  O6  UNL     1      -0.524   6.461  -1.371  1.00  0.00           O  
HETATM   35  C24 UNL     1       6.683   0.868  -0.674  1.00  0.00           C  
HETATM   36  O7  UNL     1       7.025  -0.266  -1.087  1.00  0.00           O  
HETATM   37  O8  UNL     1       6.762   1.982  -1.483  1.00  0.00           O  
HETATM   38  H1  UNL     1       6.675   2.960   1.301  1.00  0.00           H  
HETATM   39  H2  UNL     1       5.096   2.392   1.717  1.00  0.00           H  
HETATM   40  H3  UNL     1       6.987   0.676   1.395  1.00  0.00           H  
HETATM   41  H4  UNL     1       4.551   0.220   1.909  1.00  0.00           H  
HETATM   42  H5  UNL     1       5.186  -0.844   0.588  1.00  0.00           H  
HETATM   43  H6  UNL     1       3.619   1.761   0.145  1.00  0.00           H  
HETATM   44  H7  UNL     1       4.291   0.694  -1.107  1.00  0.00           H  
HETATM   45  H8  UNL     1       2.808  -1.143  -0.310  1.00  0.00           H  
HETATM   46  H9  UNL     1       2.258  -0.040   1.058  1.00  0.00           H  
HETATM   47  H10 UNL     1       2.112   0.347  -1.978  1.00  0.00           H  
HETATM   48  H11 UNL     1       1.494   1.526  -0.818  1.00  0.00           H  
HETATM   49  H12 UNL     1       1.023  -1.567  -2.436  1.00  0.00           H  
HETATM   50  H13 UNL     1      -2.275  -3.302  -2.910  1.00  0.00           H  
HETATM   51  H14 UNL     1      -0.607  -3.011  -3.650  1.00  0.00           H  
HETATM   52  H15 UNL     1      -1.289  -4.568  -1.075  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.362  -4.367  -1.761  1.00  0.00           H  
HETATM   54  H17 UNL     1      -0.325  -5.309  -3.883  1.00  0.00           H  
HETATM   55  H18 UNL     1      -2.490  -5.047  -4.176  1.00  0.00           H  
HETATM   56  H19 UNL     1      -2.940  -5.201  -2.574  1.00  0.00           H  
HETATM   57  H20 UNL     1      -2.278  -7.702  -2.075  1.00  0.00           H  
HETATM   58  H21 UNL     1      -2.923  -2.149  -0.973  1.00  0.00           H  
HETATM   59  H22 UNL     1      -3.882  -0.735   0.415  1.00  0.00           H  
HETATM   60  H23 UNL     1      -3.258   0.825   0.924  1.00  0.00           H  
HETATM   61  H24 UNL     1      -1.860  -0.600   2.697  1.00  0.00           H  
HETATM   62  H25 UNL     1      -2.875  -1.972   2.016  1.00  0.00           H  
HETATM   63  H26 UNL     1      -4.916  -0.868   2.620  1.00  0.00           H  
HETATM   64  H27 UNL     1      -4.290   1.244   4.131  1.00  0.00           H  
HETATM   65  H28 UNL     1      -4.699   1.383   2.454  1.00  0.00           H  
HETATM   66  H29 UNL     1      -2.880   0.080   5.944  1.00  0.00           H  
HETATM   67  H30 UNL     1       0.572   1.654   0.887  1.00  0.00           H  
HETATM   68  H31 UNL     1      -0.907   1.256   1.742  1.00  0.00           H  
HETATM   69  H32 UNL     1      -0.499   2.707  -0.915  1.00  0.00           H  
HETATM   70  H33 UNL     1      -2.132   2.310  -0.403  1.00  0.00           H  
HETATM   71  H34 UNL     1      -1.453   3.576   1.825  1.00  0.00           H  
HETATM   72  H35 UNL     1       0.034   4.059   0.997  1.00  0.00           H  
HETATM   73  H36 UNL     1      -2.806   4.733   0.097  1.00  0.00           H  
HETATM   74  H37 UNL     1      -0.536   6.336   0.956  1.00  0.00           H  
HETATM   75  H38 UNL     1      -1.785   5.715   1.978  1.00  0.00           H  
HETATM   76  H39 UNL     1      -0.662   6.942  -2.255  1.00  0.00           H  
HETATM   77  H40 UNL     1       6.917   2.916  -1.183  1.00  0.00           H  
CONECT    1    2   38   39
CONECT    2    3   35   40
CONECT    3    4   41   42
CONECT    4    5   43   44
CONECT    5    6   45   46
CONECT    6    7   47   48
CONECT    7    8    8   26
CONECT    8    9   49
CONECT    9   10   17   17
CONECT   10   11   50   51
CONECT   11   12   52   53
CONECT   12   13   14   54
CONECT   13   55   56
CONECT   14   15   15   16
CONECT   16   57
CONECT   17   18   58
CONECT   18   19   26   26
CONECT   19   20   59   60
CONECT   20   21   61   62
CONECT   21   22   23   63
CONECT   22   64   65
CONECT   23   24   24   25
CONECT   25   66
CONECT   26   27
CONECT   27   28   67   68
CONECT   28   29   69   70
CONECT   29   30   71   72
CONECT   30   31   32   73
CONECT   31   74   75
CONECT   32   33   33   34
CONECT   34   76
CONECT   35   36   36   37
CONECT   37   77
END

HMDB0000739
     RDKit          3D
Isodesmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    5.8451    2.4028    0.9887 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    1.0238    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    0.2000    0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    0.6939   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -0.0962    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    0.4538   -0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.2252   -0.9549 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.1969   -1.2992   -1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830   -1.9891   -1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -3.1692   -2.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.4275   -2.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -5.5772   -2.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -5.6255   -3.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -6.8091   -2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573   -6.8967   -2.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -7.8668   -2.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949   -1.6022   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.5075   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582   -0.2154    0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.8678    2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637   -0.4747    3.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0098    0.9813    3.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -1.0403    4.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -2.2854    4.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331   -0.2487    5.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405    0.1674   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845    1.3705    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504    2.5286   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    3.7640    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    4.9110    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353    6.0709    1.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605    5.2444   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    4.4776   -2.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    6.4607   -1.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6834    0.8685   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251   -0.2663   -1.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.9821   -1.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6749    2.9604    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956    2.3916    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9870    0.6757    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511    0.2201    1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856   -0.8437    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    1.7609    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915    0.6936   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -1.1435   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -0.0398    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    0.3469   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    1.5264   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.5667   -2.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747   -3.3019   -2.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -3.0112   -3.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -4.5679   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -4.3674   -1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -5.3086   -3.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901   -5.0470   -4.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -5.2012   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -7.7016   -2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -2.1487   -0.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824   -0.7345    0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581    0.8253    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598   -0.5995    2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -1.9721    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9161   -0.8678    2.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    1.2439    4.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6994    1.3827    2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8804    0.0800    5.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    1.6537    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    1.2556    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    2.7072   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    2.3101   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    3.5760    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    4.0595    0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057    4.7331    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358    6.3357    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    5.7151    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    6.9422   -2.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    2.9159   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 18 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 32 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 26  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  8 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 16 57  1  0
 17 58  1  0
 19 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 25 66  1  0
 27 67  1  0
 27 68  1  0
 28 69  1  0
 28 70  1  0
 29 71  1  0
 29 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium	ChEBI
2-Amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoic acid	ChEBI
Ide	ChEBI
2-Amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoate	Generator
2-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-pyridinium	HMDB
Iso-desmosin	HMDB

Chemical Formula

C₂₄H₄₀N₅O₈

Average Molecular Weight

526.6031

Monoisotopic Molecular Weight

526.287688281

IUPAC Name

3,5-bis(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium

Traditional Name

isodesmosine

CAS Registry Number

991-01-5

SMILES

NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1

InChI Key

RGXCTRIQQODGIZ-UHFFFAOYSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Aralkylamine
Pyridine
Pyridinium
Heteroaromatic compound
Amino acid or derivatives
Amino acid
Azacycle
Organoheterocyclic compound
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Hydrocarbon derivative
Amine
Organic cation
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyridinium ion (CHEBI:64366 )
lysine derivative (CHEBI:64366 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.012 g/L	ALOGPS
logP	-4.6	ALOGPS
logP	-14	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	1.04	ChemAxon
pKa (Strongest Basic)	10.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	257.16 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	133.35 m³·mol⁻¹	ChemAxon
Polarizability	56.3 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	221.613	31661259
DarkChem	[M-H]-	215.72	31661259
AllCCS	[M+H]+	224.293	32859911
AllCCS	[M-H]-	221.64	32859911
DeepCCS	[M+H]+	215.635	30932474
DeepCCS	[M-H]-	213.239	30932474
DeepCCS	[M-2H]-	246.121	30932474
DeepCCS	[M+Na]+	221.548	30932474
AllCCS	[M+H]+	224.3	32859911
AllCCS	[M+H-H2O]+	222.9	32859911
AllCCS	[M+NH4]+	225.6	32859911
AllCCS	[M+Na]+	225.9	32859911
AllCCS	[M-H]-	221.6	32859911
AllCCS	[M+Na-2H]-	222.7	32859911
AllCCS	[M+HCOO]-	224.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isodesmosine	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O	5552.5	Standard polar	33892256
Isodesmosine	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O	4088.4	Standard non polar	33892256
Isodesmosine	NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O	4878.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isodesmosine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4726.3	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4726.3	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4723.7	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4723.7	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4726.5	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4726.5	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4727.1	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4727.1	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #5	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4901.8	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #5	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4901.8	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #6	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4902.0	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #6	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4902.0	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #7	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4909.2	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #7	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4909.2	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #8	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4898.2	Semi standard non polar	33892256
Isodesmosine,1TMS,isomer #8	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4898.2	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4523.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4523.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4682.0	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4682.0	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #11	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4663.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #11	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4663.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4673.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4673.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #13	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4669.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #13	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4669.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4534.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4534.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4677.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4677.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #16	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4677.2	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #16	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4677.2	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #17	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4667.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #17	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4667.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #18	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4676.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #18	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4676.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #19	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4681.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #19	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4681.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4530.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4530.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #20	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4666.3	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #20	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4666.3	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #21	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4675.7	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #21	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4675.7	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #22	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4671.5	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #22	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4671.5	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #23	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4840.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #23	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4840.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #24	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4847.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #24	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4847.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #25	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4841.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #25	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4841.8	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #26	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4937.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #26	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4937.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #27	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4839.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #27	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4839.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #28	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4833.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #28	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4833.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #29	C[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4943.0	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #29	C[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4943.0	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4532.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4532.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #30	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4841.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #30	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4841.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #31	C[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4954.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #31	C[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4954.4	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #32	C[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4938.5	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #32	C[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4938.5	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4672.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4672.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #5	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4675.7	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #5	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4675.7	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #6	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4671.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #6	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4671.9	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #7	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4675.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #7	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4675.1	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4527.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4527.6	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4526.0	Semi standard non polar	33892256
Isodesmosine,2TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4526.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4400.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4400.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4485.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4485.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #11	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #11	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4489.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4489.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #13	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4481.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #13	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4481.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #14	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4498.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #14	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4498.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4498.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4498.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #16	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4615.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #16	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4615.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #17	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4614.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #17	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4614.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #18	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4614.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #18	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4614.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4748.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4748.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4401.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4401.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #20	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4626.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #20	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4626.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #21	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4627.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #21	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4627.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #22	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4737.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #22	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4737.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #23	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4627.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #23	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4627.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4724.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4724.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4722.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4722.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #26	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4398.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #26	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4398.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #27	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4488.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #27	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4488.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4487.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4487.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #29	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4489.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #29	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4489.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4483.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4483.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #30	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4497.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #30	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4497.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #31	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4490.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #31	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4490.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #32	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4492.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #32	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4492.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #33	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4491.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #33	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4491.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4616.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4616.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #36	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4622.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #36	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4622.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #37	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4622.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #37	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4622.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #38	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4761.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #38	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4761.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4616.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4616.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4492.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4492.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #40	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4617.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #40	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4617.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #41	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4723.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #41	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4723.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #42	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4625.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #42	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4625.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4718.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4718.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4720.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4720.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #45	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4490.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #45	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4490.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #46	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4490.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #46	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4490.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #47	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #47	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4499.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #48	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4488.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #48	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4488.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #49	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4619.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #49	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4619.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #5	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4499.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #5	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4499.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #50	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4613.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #50	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4613.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #51	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4618.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #51	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4618.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #52	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4745.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #52	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4745.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #53	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4618.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #53	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4618.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #54	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4626.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #54	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4626.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #55	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4735.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #55	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4735.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #56	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4619.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #56	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4619.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #57	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4724.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #57	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4724.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #58	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4721.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #58	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4721.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #59	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4614.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #59	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4614.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #6	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4498.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #6	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4498.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #60	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4620.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #60	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4620.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #61	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4619.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #61	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4619.7	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #62	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4745.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #62	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4745.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #63	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4613.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #63	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4613.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #64	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4614.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #64	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4614.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #65	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4719.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #65	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4719.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #66	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4621.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #66	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4621.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #67	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4730.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #67	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4730.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #68	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4716.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #68	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4716.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #69	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4769.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #69	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4769.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4402.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4402.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #70	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4766.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #70	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4766.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #71	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4860.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #71	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4860.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #72	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4868.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #72	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4868.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #73	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4774.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #73	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4774.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #74	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4869.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #74	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4869.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #75	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4880.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #75	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4880.8	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #76	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4855.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #76	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4855.9	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #77	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4862.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #77	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4862.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #78	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4764.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #78	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4764.1	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #79	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4872.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #79	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4872.6	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #8	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4492.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #8	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4492.0	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #80	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4876.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #80	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4876.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #81	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4858.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #81	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4858.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #82	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4859.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #82	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4859.5	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #83	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4867.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #83	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4867.2	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #84	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4872.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #84	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4872.3	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #9	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4501.4	Semi standard non polar	33892256
Isodesmosine,3TMS,isomer #9	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4501.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4299.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4299.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4462.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #10	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4462.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #100	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4482.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #100	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4482.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #101	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4488.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #101	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4488.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #102	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4467.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #102	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4467.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #103	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4600.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #103	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4600.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #104	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4499.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #104	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4499.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #105	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4481.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #105	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4481.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #106	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4581.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #106	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4581.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #107	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4487.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #107	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4487.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #108	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4589.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #108	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4589.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #109	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4599.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #109	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4599.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #11	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4480.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #11	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4480.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #110	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4590.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #110	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4590.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #111	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4597.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #111	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4597.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #112	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4690.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #112	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4690.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #113	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4695.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #113	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4695.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #114	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4592.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #114	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4592.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #115	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4680.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #115	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4680.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #116	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4690.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #116	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4690.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #117	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4678.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #117	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4678.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #118	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4692.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #118	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4692.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #119	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4604.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #119	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4604.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4480.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4480.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #120	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4678.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #120	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4678.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #121	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4684.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #121	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4684.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #122	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4679.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #122	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4679.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #123	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4687.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #123	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4687.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #124	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4674.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #124	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4674.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #125	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4678.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #125	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4678.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #126	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4593.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #126	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4593.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #127	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4593.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #127	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4593.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #128	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4680.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #128	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4680.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #129	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4686.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #129	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4686.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4602.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4602.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #130	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4598.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #130	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4598.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #131	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4690.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #131	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4690.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #132	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4691.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #132	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4691.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #133	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4682.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #133	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4682.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #134	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4687.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #134	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4687.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #135	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4598.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #135	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4598.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #136	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4673.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #136	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4673.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #137	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4678.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #137	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4678.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #138	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4672.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #138	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4672.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #139	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4672.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #139	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4672.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #14	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4486.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #14	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4486.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #140	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #140	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #141	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4681.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #141	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4681.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #142	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4720.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #142	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4720.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #143	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4805.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #143	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4805.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #144	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4810.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #144	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4810.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #145	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4815.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #145	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4815.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #146	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4797.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #146	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4797.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #147	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4803.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #147	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4803.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #148	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4803.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #148	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4803.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #149	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4934.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #149	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4934.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4486.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #15	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4486.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #150	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4804.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #150	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4804.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #151	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4813.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #151	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4813.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #152	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4809.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #152	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4809.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #153	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4945.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #153	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4945.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #154	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4933.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #154	C[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4933.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #155	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4806.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #155	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4806.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #156	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4811.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #156	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4811.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #157	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4805.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #157	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4805.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #158	C[Si](C)(C)N(C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4945.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #158	C[Si](C)(C)N(C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4945.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #159	C[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4935.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #159	C[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4935.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4614.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4614.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #160	C[Si](C)(C)N(C(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4944.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #160	C[Si](C)(C)N(C(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	4944.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #17	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4505.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #17	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4505.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4588.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4588.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4585.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4585.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #2	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4375.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #2	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4375.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #20	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4375.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #20	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4375.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #21	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4368.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #21	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4368.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #22	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4399.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #22	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4399.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #23	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #23	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #24	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4488.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #24	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4488.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #25	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4463.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #25	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4463.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #26	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4489.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #26	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4489.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4604.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4604.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4482.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4482.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #29	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4507.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #29	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4507.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4377.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4377.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4594.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4594.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #31	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4484.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #31	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4484.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #32	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4604.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #32	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4604.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4587.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4587.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4461.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4461.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4485.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4485.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #36	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4486.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #36	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4486.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #37	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4600.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #37	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4600.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #38	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4478.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #38	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4478.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4480.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4480.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4371.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #4	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4371.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4598.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4598.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #41	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4504.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #41	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4504.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4587.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4587.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4584.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4584.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #44	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4590.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #44	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4590.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #45	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4588.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #45	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4588.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #46	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4688.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #46	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4688.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #47	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4695.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #47	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4695.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #48	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4590.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #48	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4590.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #49	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4680.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #49	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4680.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #5	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4400.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #5	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4400.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #50	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4692.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #50	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4692.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #51	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4677.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #51	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4677.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #52	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4692.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #52	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4692.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #53	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4608.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #53	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4608.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #54	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4678.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #54	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4678.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #55	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4686.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #55	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4686.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #56	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #56	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #57	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4687.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #57	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4687.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #58	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4678.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #58	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4678.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #59	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #59	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #6	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4373.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #6	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4373.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #60	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #60	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #61	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4391.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #61	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4391.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #62	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #62	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4372.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #63	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4370.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #63	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4370.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #64	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4479.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #64	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4479.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #65	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4466.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #65	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4466.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #66	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4485.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #66	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4485.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #67	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4599.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #67	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4599.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #68	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4478.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #68	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4478.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #69	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4497.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #69	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4497.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #7	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4366.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #7	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4366.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #70	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4578.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #70	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4578.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #71	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4485.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #71	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4485.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #72	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4608.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #72	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4608.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #73	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4583.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #73	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4583.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #74	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4469.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #74	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4469.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #75	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4481.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #75	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4481.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #76	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4488.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #76	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4488.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #77	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4602.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #77	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4602.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #78	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4482.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #78	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4482.3	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #79	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4489.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #79	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4489.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #8	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4373.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #8	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4373.7	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #80	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4613.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #80	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4613.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #81	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4501.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #81	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4501.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #82	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4584.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #82	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4584.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #83	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4587.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #83	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4587.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #84	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4591.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #84	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4591.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #85	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4592.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #85	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4592.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #86	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4686.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #86	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4686.5	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #87	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4703.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #87	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4703.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #88	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4598.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #88	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4598.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #89	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4684.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #89	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4684.9	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #9	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4396.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #9	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4396.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #90	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4704.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #90	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4704.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #91	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4689.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #91	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4689.1	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #92	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4704.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #92	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4704.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #93	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4601.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #93	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4601.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #94	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4676.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #94	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4676.8	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #95	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4677.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #95	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4677.0	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #96	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4673.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #96	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4673.2	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #97	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4677.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #97	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4677.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #98	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4677.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #98	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4677.6	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #99	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.4	Semi standard non polar	33892256
Isodesmosine,4TMS,isomer #99	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #1	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4312.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #1	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4210.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #1	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7251.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #10	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4409.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #10	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4300.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #10	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6802.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #100	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4806.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #100	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4478.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #100	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	6944.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #101	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4798.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #101	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4483.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #101	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	6925.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #102	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4405.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #102	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4302.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #102	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6805.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #103	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4387.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #103	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4298.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #103	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6862.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #104	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #104	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4300.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #104	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6859.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4524.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4311.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7342.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #106	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4404.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #106	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4298.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #106	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6820.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #107	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4402.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #107	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4300.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #107	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6817.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #108	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4514.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #108	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4304.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #108	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	7275.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #109	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #109	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4296.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #109	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6874.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4536.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4310.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	7354.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4528.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4309.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	7355.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #111	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4520.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #111	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4308.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #111	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7351.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #112	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4480.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #112	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4391.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #112	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6431.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #113	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4499.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #113	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4398.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #113	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6355.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #114	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4574.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #114	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4390.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #114	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6893.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #115	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4591.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #115	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4397.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #115	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6923.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #116	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4481.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #116	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4392.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #116	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6426.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #117	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4590.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #117	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4392.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #117	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6981.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #118	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4595.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #118	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4395.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #118	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6981.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #119	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4576.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #119	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4390.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #119	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6887.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4405.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4300.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #12	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6800.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #120	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4590.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #120	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4398.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #120	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6918.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #121	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4500.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #121	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4392.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #121	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6376.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #122	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4574.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #122	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4383.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #122	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6908.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #123	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4594.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #123	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4394.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #123	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6939.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #124	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4579.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #124	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4387.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #124	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6844.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #125	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4575.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #125	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4389.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #125	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6845.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #126	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4576.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #126	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4383.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #126	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6903.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #127	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4593.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #127	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4396.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #127	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6934.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #128	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4482.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #128	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4388.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #128	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6447.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #129	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4484.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #129	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4391.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #129	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6427.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4527.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4310.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	7353.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #130	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4592.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #130	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4390.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #130	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6994.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #131	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4596.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #131	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4393.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #131	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6994.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #132	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4503.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #132	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4397.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #132	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6355.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #133	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4576.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #133	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4387.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #133	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6905.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #134	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4593.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #134	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4394.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #134	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6936.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #135	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4577.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #135	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4389.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #135	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6887.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #136	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4594.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #136	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4397.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #136	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6918.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #137	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4505.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #137	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4393.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #137	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6362.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #138	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4578.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #138	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4383.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #138	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6908.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #139	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4599.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #139	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4394.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #139	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6939.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4524.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4307.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7259.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #140	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4580.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #140	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4385.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #140	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6891.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #141	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4599.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #141	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4396.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #141	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6922.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #142	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4583.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #142	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4390.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #142	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6833.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #143	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4581.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #143	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4390.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #143	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6834.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #144	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4608.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #144	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4472.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #144	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6079.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #145	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4679.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #145	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4466.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #145	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6530.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #146	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4688.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #146	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4471.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #146	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6564.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #147	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4675.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #147	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4466.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #147	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6531.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #148	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4674.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #148	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4468.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #148	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6515.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #149	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4676.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #149	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4468.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #149	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6516.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #15	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4383.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #15	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4299.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #15	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6859.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #150	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4689.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #150	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4473.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #150	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6550.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #151	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4834.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #151	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4481.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #151	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7042.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #152	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4673.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #152	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4470.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #152	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6509.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #153	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4688.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #153	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4476.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #153	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6544.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #154	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4678.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #154	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4470.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #154	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6510.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #155	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4833.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #155	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4488.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #155	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7024.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #156	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4835.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #156	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4485.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #156	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7036.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #157	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4672.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #157	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4475.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #157	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6438.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #158	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4674.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #158	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4476.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #158	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6440.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #159	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4678.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #159	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4475.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #159	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6439.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #16	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4388.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #16	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4299.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #16	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6861.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #160	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4794.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #160	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4478.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #160	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6944.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #161	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4793.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #161	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4480.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #161	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	6932.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #162	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4797.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #162	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4482.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #162	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6926.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #163	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4505.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #163	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4396.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #163	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6363.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #164	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4480.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #164	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4394.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #164	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6427.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #165	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4575.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #165	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4388.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #165	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6894.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #166	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4591.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #166	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4395.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #166	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6925.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #167	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4484.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #167	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4393.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #167	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6428.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #168	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4580.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #168	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4389.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #168	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6894.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #169	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4595.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #169	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4395.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #169	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6925.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #17	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4407.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #17	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4303.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #17	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6798.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #170	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4585.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #170	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4395.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #170	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6979.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #171	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4586.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #171	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4395.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #171	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6979.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #172	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4503.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #172	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4394.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #172	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6378.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #173	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4581.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #173	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4386.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #173	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6852.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #174	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4584.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #174	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4387.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #174	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6852.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #175	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4573.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #175	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #175	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6906.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #176	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4588.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #176	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4393.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #176	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6937.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #177	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4579.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #177	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #177	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6906.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #178	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4592.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #178	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4393.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #178	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6937.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #179	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4609.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #179	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4473.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #179	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6070.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4527.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4312.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	7340.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #180	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4675.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #180	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4467.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #180	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6532.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #181	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4678.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #181	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4468.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #181	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6532.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #182	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4685.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #182	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4469.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #182	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6564.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #183	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4673.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #183	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4471.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #183	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6511.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #184	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4678.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #184	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4472.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #184	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6512.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #185	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4685.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #185	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4473.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #185	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6544.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #186	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4834.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #186	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4484.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #186	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7039.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #187	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4668.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #187	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4472.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #187	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6509.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #188	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4670.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #188	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4472.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #188	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6511.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #189	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4682.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #189	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4474.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #189	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6542.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #19	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4382.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #19	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4294.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #19	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6874.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #190	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4823.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #190	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4484.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #190	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7039.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #191	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4821.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #191	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4490.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #191	C[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7020.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #192	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4677.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #192	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4471.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #192	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6447.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #193	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4678.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #193	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4471.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #193	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6449.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #194	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4682.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #194	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4472.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #194	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6448.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #195	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4804.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #195	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	4475.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #195	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O	6951.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #196	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4807.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #196	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4479.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #196	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6933.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #197	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4796.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #197	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4479.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #197	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6933.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #198	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4609.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #198	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4474.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #198	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6071.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #199	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4674.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #199	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4469.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #199	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6518.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4310.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4207.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7262.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #20	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4401.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #20	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4298.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #20	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6812.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #200	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4678.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #200	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4470.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #200	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6517.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #201	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4682.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #201	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4472.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #201	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6549.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #202	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4672.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #202	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4472.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #202	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6510.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #203	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4669.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #203	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4472.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #203	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6510.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #204	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #204	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4474.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #204	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6542.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #205	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4820.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #205	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4487.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #205	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7026.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #206	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #206	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4471.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #206	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6511.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #207	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4677.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #207	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4472.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #207	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6512.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #208	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4680.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #208	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4474.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #208	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6544.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #209	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4832.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #209	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4487.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #209	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7027.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4522.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	4310.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O	7353.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #210	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4821.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #210	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4491.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #210	C[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7020.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #211	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4676.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #211	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4470.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #211	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6462.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #212	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4675.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #212	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4471.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #212	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6463.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #213	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4672.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #213	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4470.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #213	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6463.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #214	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4799.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #214	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4475.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #214	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	6951.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #215	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4792.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #215	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4477.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #215	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6945.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #216	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4803.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #216	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4477.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #216	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6945.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #217	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4781.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #217	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4535.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #217	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6197.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #218	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4784.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #218	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4535.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #218	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6200.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #219	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4787.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #219	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4536.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #219	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6199.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #22	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4406.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #22	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4298.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #22	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6813.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #220	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4787.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #220	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4534.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #220	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6199.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #221	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4899.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #221	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4548.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #221	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6601.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #222	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4903.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #222	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4548.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #222	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6600.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #223	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4906.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #223	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4548.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #223	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6602.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #224	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4891.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #224	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4552.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #224	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6593.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #225	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4889.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #225	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4553.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #225	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6594.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #226	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4894.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #226	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4552.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #226	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6594.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #227	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4897.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #227	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4551.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #227	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6594.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #228	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4900.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #228	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4552.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #228	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6595.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #229	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4903.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #229	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4552.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #229	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6595.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4531.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	4310.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O	7354.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #230	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4902.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #230	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4545.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #230	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6616.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #231	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4906.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #231	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	4546.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #231	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	6615.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #232	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4904.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #232	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4546.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #232	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6616.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4518.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4304.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7269.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #25	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4477.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #25	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4387.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #25	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6447.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #26	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4479.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #26	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4389.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #26	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6433.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #27	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4592.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #27	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4389.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #27	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6996.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4595.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4390.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #28	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	6995.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #29	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4498.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #29	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4395.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #29	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6356.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4316.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4207.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7264.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #30	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4575.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #30	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4385.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #30	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	6900.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #31	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4592.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #31	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4396.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #31	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6932.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #32	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4575.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #32	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4387.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #32	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6888.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #33	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4593.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #33	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4397.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #33	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6921.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4504.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4395.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #34	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6354.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4579.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4387.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #35	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6889.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #36	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4599.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #36	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4398.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #36	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6921.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #37	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4579.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #37	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4384.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #37	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6901.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #38	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4599.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #38	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4397.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #38	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6932.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4580.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4392.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #39	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6826.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #4	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4312.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #4	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4206.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #4	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7260.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #40	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4582.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #40	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4391.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #40	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6826.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #41	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4382.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #41	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4298.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #41	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6861.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #42	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4411.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #42	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4302.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #42	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6805.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #43	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4386.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #43	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4300.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #43	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6859.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4527.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4311.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7341.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #45	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4405.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #45	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4298.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #45	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6819.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #46	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4380.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #46	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4296.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #46	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	6872.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #47	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4522.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #47	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	4309.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #47	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C	7354.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #48	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4409.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #48	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4300.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #48	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6817.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #49	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4522.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #49	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	4305.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #49	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C	7275.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #5	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4390.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #5	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4297.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #5	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6872.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #50	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4523.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #50	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4308.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #50	C[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7351.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #51	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4481.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #51	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4388.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #51	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6450.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #52	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4508.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #52	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4397.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #52	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6356.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #53	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4582.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #53	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4387.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #53	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6905.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #54	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4597.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #54	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4394.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #54	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6936.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #55	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4479.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #55	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4392.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #55	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6428.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #56	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4586.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #56	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4390.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #56	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	6992.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #57	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4588.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #57	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4392.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #57	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6993.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #58	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4577.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #58	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4389.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #58	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6887.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #59	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4594.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #59	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4397.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #59	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6918.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #6	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4384.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #6	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4297.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #6	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6871.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #60	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4503.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #60	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4392.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #60	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6365.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #61	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4580.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #61	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4384.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #61	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	6907.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #62	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4595.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #62	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4393.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #62	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6939.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #63	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4586.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #63	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4389.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #63	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6833.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #64	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4587.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #64	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4390.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #64	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6834.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #65	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4576.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #65	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4386.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #65	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6889.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #66	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4592.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #66	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4396.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #66	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6922.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #67	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4479.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #67	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4391.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #67	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6434.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #68	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4476.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #68	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4393.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #68	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6427.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #69	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4584.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #69	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4393.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #69	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6980.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #7	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4408.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #7	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4302.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #7	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6798.7	Standard polar	33892256
Isodesmosine,5TMS,isomer #70	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4587.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #70	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4394.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #70	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6981.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #71	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4504.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #71	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4398.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #71	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6355.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #72	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4579.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #72	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	4390.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #72	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C	6893.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #73	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4595.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #73	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4397.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #73	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6924.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #74	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4575.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #74	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4390.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #74	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6886.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #75	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4590.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #75	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4399.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #75	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6918.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #76	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4498.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #76	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4392.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #76	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6379.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #77	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4576.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #77	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4384.5	Standard non polar	33892256
Isodesmosine,5TMS,isomer #77	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6907.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #78	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4590.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #78	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4393.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #78	C[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6939.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #79	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4572.4	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #79	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4384.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #79	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	6901.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4527.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	4309.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C(CCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	7350.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #80	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4586.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #80	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4395.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #80	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6934.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #81	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4582.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #81	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4387.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #81	C[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6845.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #82	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4581.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #82	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	4389.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #82	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C)C(=O)O	6845.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #83	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4606.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #83	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4472.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #83	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6084.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #84	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4672.1	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #84	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4468.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #84	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6518.1	Standard polar	33892256
Isodesmosine,5TMS,isomer #85	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4684.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #85	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	4472.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #85	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	6553.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #86	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4676.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #86	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	4469.0	Standard non polar	33892256
Isodesmosine,5TMS,isomer #86	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	6519.2	Standard polar	33892256
Isodesmosine,5TMS,isomer #87	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #87	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4465.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #87	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6533.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #88	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4676.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #88	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4466.9	Standard non polar	33892256
Isodesmosine,5TMS,isomer #88	C[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6533.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #89	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4683.2	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #89	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	4470.8	Standard non polar	33892256
Isodesmosine,5TMS,isomer #89	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	6568.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #9	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4386.0	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #9	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4295.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #9	C[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	6874.3	Standard polar	33892256
Isodesmosine,5TMS,isomer #90	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4832.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #90	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4481.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #90	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	7042.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #91	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4666.3	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #91	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4471.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #91	C[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6510.9	Standard polar	33892256
Isodesmosine,5TMS,isomer #92	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4679.5	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #92	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4475.6	Standard non polar	33892256
Isodesmosine,5TMS,isomer #92	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6546.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #93	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4671.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #93	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4471.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #93	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6511.6	Standard polar	33892256
Isodesmosine,5TMS,isomer #94	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4822.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #94	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4485.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #94	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	7036.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #95	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4820.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #95	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4487.7	Standard non polar	33892256
Isodesmosine,5TMS,isomer #95	C[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	7023.8	Standard polar	33892256
Isodesmosine,5TMS,isomer #96	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4676.9	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #96	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4475.4	Standard non polar	33892256
Isodesmosine,5TMS,isomer #96	C[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6439.4	Standard polar	33892256
Isodesmosine,5TMS,isomer #97	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4681.6	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #97	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	4476.1	Standard non polar	33892256
Isodesmosine,5TMS,isomer #97	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCCC(N[Si](C)(C)C)C(=O)O)C(=O)O	6440.5	Standard polar	33892256
Isodesmosine,5TMS,isomer #98	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4681.7	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #98	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4475.3	Standard non polar	33892256
Isodesmosine,5TMS,isomer #98	C[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C)=CC(CCC(N[Si](C)(C)C)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6440.0	Standard polar	33892256
Isodesmosine,5TMS,isomer #99	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4805.8	Semi standard non polar	33892256
Isodesmosine,5TMS,isomer #99	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4481.2	Standard non polar	33892256
Isodesmosine,5TMS,isomer #99	C[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	6932.1	Standard polar	33892256
Isodesmosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4992.5	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	4992.5	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4987.9	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4987.9	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4991.5	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	4991.5	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4991.8	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	4991.8	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5114.6	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5114.6	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5112.3	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5112.3	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5123.3	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5123.3	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5113.3	Semi standard non polar	33892256
Isodesmosine,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5113.3	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	5020.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	5020.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5147.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5147.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5125.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5125.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5127.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5127.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5127.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5127.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5017.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5017.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5138.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5138.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5138.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5138.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5127.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5127.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5128.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5128.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5137.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5137.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5024.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5024.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5124.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5124.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5136.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5136.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5125.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5125.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5236.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5236.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5248.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5248.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5239.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5239.0	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5316.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5316.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5244.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5244.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5234.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5234.1	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5320.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5320.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5020.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5020.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5245.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5245.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5333.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5333.4	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5319.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N(C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5319.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5136.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5136.9	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5140.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5140.7	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5131.3	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5131.3	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5130.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5130.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5013.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5013.8	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	5017.2	Semi standard non polar	33892256
Isodesmosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	5017.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5069.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5069.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5146.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5146.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5149.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5149.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5137.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5137.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5135.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5135.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5154.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5154.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5144.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5144.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5261.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5261.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5252.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5252.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5248.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5248.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5381.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5381.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5060.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5060.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5265.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5265.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5269.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5269.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	5374.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1	5374.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5256.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5256.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	5361.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1	5361.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	5351.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	5351.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5056.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5056.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5133.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5133.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5140.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5140.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5142.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5142.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5141.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5141.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5138.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5138.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5144.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5144.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5153.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5153.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5150.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5150.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5143.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5143.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5260.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5260.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5256.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5256.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5261.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5261.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5396.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5396.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5254.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5254.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5153.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5153.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5251.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5251.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5357.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5357.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5250.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5250.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5345.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5345.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5355.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5355.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5138.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5138.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5144.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5144.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5152.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5152.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5139.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5139.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5259.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5259.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5150.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5150.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5250.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5250.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5246.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5246.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5384.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5384.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5265.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5265.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5259.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5259.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	5371.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O	5371.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5251.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5251.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5361.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O	5361.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5350.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5350.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5242.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5242.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5145.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5145.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5251.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5251.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5243.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5243.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5373.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC(=O)C(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5373.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5258.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5258.8	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5249.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5249.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5354.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O	5354.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5258.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5258.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5365.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O	5365.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5352.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5352.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5370.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5370.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5065.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCC[N+]1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5065.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5359.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5359.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5444.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(N)C(=O)O)[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5444.5	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5457.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5457.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5370.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5370.4	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5455.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5455.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5469.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCCC(N)C(=O)O)C(=O)O	5469.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5445.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5445.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5452.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)NC(CCCC[N+]1=CC(CCC(N)C(=O)O)=CC(CCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5452.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5371.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5371.3	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5466.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O)C(=O)O	5466.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5148.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5148.9	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5469.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCCC(N)C(=O)O)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5469.0	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5452.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C(CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[N+](CCCCC(N)C(=O)O)=C1)C(=O)O	5452.2	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5456.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(N)C(=O)O)C=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5456.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5462.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5462.1	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5468.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)NC(CCCC1=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(CCC(N)C(=O)O)C=[N+]1CCCCC(N)C(=O)O)C(=O)O	5468.7	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5164.6	Semi standard non polar	33892256
Isodesmosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC1=CC(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C[N+](CCCCC(N)C(=O)O)=C1CCCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5164.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0019-0000900000-78ef29d9446bcb2f1511	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (2 TMS) - 70eV, Positive	splash10-00di-1000059000-f1c087858d1fc630f361	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isodesmosine GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 10V, Positive-QTOF	splash10-004i-0000190000-808de3e96eaf83168632	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 20V, Positive-QTOF	splash10-0095-0000910000-97e503d6c21442da41c7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 40V, Positive-QTOF	splash10-014i-2300900000-99327764dbc9812bcc34	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 10V, Negative-QTOF	splash10-004i-0000090000-62b53001eb9cde723507	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 20V, Negative-QTOF	splash10-004i-1000090000-7d10eeb30c8bc5581672	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 40V, Negative-QTOF	splash10-00dl-9200540000-2bad06401982c266a8c7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 10V, Positive-QTOF	splash10-0a5l-0000930000-e39fe63f78706dd677f3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 20V, Positive-QTOF	splash10-001i-3102910000-74e46e64c33bcdc78925	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isodesmosine 40V, Positive-QTOF	splash10-0540-7009700000-9b1b4fd5ade54caf2d8c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Detected and Quantified	0.00029 +/- 0.00022 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	14563926	details
Urine	Detected and Quantified	0.0014 +/- 0.000077 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	9453424	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	0.002 +/- 0.0002 umol/mmol creatinine	Adult (>18 years old)	Both	Liver fibrosis	9453424	details

Associated Disorders and Diseases

Disease References

Cirrhosis
Afdhal NH, Keaveny AP, Cohen SB, Nunes DP, Maldonado N, O'Brien M, Stone PJ: Urinary assays for desmosine and hydroxylysylpyridinoline in the detection of cirrhosis. J Hepatol. 1997 Dec;27(6):993-1002. [PubMed:9453424 ]

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000467

KNApSAcK ID

Not Available

Chemspider ID

13214

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Isodesmosine

METLIN ID

5707

PubChem Compound

13811

PDB ID

Not Available

ChEBI ID

64366

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Thomas, J.; Elsden, D. F.; Partridge, S. M. Partial structure of two major degradation products from the cross-linkages in elastin. Nature (London, United Kingdom) (1963), 200(4907), 651-2.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Viglio S, Iadarola P, Lupi A, Trisolini R, Tinelli C, Balbi B, Grassi V, Worlitzsch D, Doring G, Meloni F, Meyer KC, Dowson L, Hill SL, Stockley RA, Luisetti M: MEKC of desmosine and isodesmosine in urine of chronic destructive lung disease patients. Eur Respir J. 2000 Jun;15(6):1039-45. [PubMed:10885422 ]
Ma S, Lieberman S, Turino GM, Lin YY: The detection and quantitation of free desmosine and isodesmosine in human urine and their peptide-bound forms in sputum. Proc Natl Acad Sci U S A. 2003 Oct 28;100(22):12941-3. Epub 2003 Oct 16. [PubMed:14563926 ]
Cumiskey WR, Pagani ED, Bode DC: Enrichment and analysis of desmosine and isodesmosine in biological fluids. J Chromatogr B Biomed Appl. 1995 Jun 23;668(2):199-207. [PubMed:7581855 ]

Showing metabocard for Isodesmosine (HMDB0000739)

MOL for HMDB0000739 (Isodesmosine)

3D MOL for HMDB0000739 (Isodesmosine)

3D SDF for HMDB0000739 (Isodesmosine)

3D-SDF for HMDB0000739 (Isodesmosine)

PDB for HMDB0000739 (Isodesmosine)

3D PDB for HMDB0000739 (Isodesmosine)

SMILES for HMDB0000739 (Isodesmosine)

INCHI for HMDB0000739 (Isodesmosine)

Structure for HMDB0000739 (Isodesmosine)

3D Structure for HMDB0000739 (Isodesmosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra