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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (8) Show 8 proteins XML

enzymes (8) Show 8 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-12 19:21:29 UTC

Update Date

2021-09-14 15:45:59 UTC

HMDB ID

HMDB0003362

Secondary Accession Numbers

HMDB03362

Metabolite Identification

Common Name

Chitin

Description

Chitin is one of the main components in the cell walls of fungi, the exoskeletons of insects and other arthropods (such as crustaceans) as well as fish and frogs. It is a polysaccharide that is constructed from units of acetylglucosamine (more completely, N-acetyl-D-glucose-2-amine). These are linked together in beta-1,4 fashion (in a similar manner to the glucose units which form cellulose). In effect, chitin may be described as cellulose with one hydroxyl group on each monomer replaced by an acetylamine group. This allows for increased hydrogen bonding between adjacent polymers, giving the polymer increased strength. Chitin is the second most abundant polysaccharide in the world (after cellulose). Chitinases break down chitin and are a part of the defence mechanism of mammals against chitin-containing parasites in lower life forms. Under certain circumstances, chitin can act as an allergen. Research using murine models has shown that chitin is a size-dependent microbial-associated molecular pattern (MAMP) that can induce an immunological response via pattern recognition receptors. Medium-sized chitin micro-particles (CMPs) have been shown to induce inflammation, while small-sized CMPs reduce inflammation. Additionally, mammalian chitinases may play a key role in mediating the T-helper 2 cell-driven inflammatory response that is commonly associated with asthma. The high prevalence of asthma among people working with chitinous substances, such as crabs and fungi, suggests that chitin might be an allergen playing a significant role in the development of asthma.

Structure

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


  Mrv1652304101819532D          

 43 45  0  0  1  0            999 V2000
   13.3608   -6.9653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3650   -6.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6526   -5.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -6.1476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7896   -6.9727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0815   -5.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -7.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5105   -5.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5020   -7.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0688   -8.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569   -4.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2185   -6.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -7.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2227   -6.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442   -7.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5008   -8.6115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5008   -7.7865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9298   -7.7865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2153   -7.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9298   -8.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2153   -9.0240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6428   -7.7868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3572   -7.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9283   -7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718   -8.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3573   -9.0242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0718   -7.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6429   -8.6118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7863   -9.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3575   -9.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -9.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6441   -9.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152   -9.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3571   -6.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426   -6.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0721  -10.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0723  -11.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864   -9.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440   -9.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9295  -10.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3584  -10.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 15  1  1  0  0  0
 17 16  1  0  0  0  0
 21 16  1  0  0  0  0
 17 34  1  1  0  0  0
 19 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  6  0  0  0
 20 21  1  0  0  0  0
 21 33  1  1  0  0  0
 32 41  1  0  0  0  0
 34 35  1  0  0  0  0
 42 41  1  0  0  0  0
 43 41  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  2  3  1  1  0  0  0
 11  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  6  0  0  0
  7 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  9 12  1  0  0  0  0
  1 15  1  6  0  0  0
 16 29  1  6  0  0  0
 28 22  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  6  0  0  0
 27 23  1  0  0  0  0
 23 36  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  1  0  0  0
 26 28  1  0  0  0  0
 26 30  1  6  0  0  0
 28 31  1  1  0  0  0
 36 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 30 38  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 14  15  16  17  18  19  20  21  33  34  35  41  42  43  32
M  SDI   1  4   10.4541   -9.2100    9.9591   -8.3527
M  SDI   1  4   12.6939   -6.7759   13.1846   -7.6358
M  SBL   1  2  29  30
M  SMT   1 n
M  END

HMDB0003362
     RDKit          3D
Chitin
 84 86  0  0  0  0  0  0  0  0999 V2000
   -3.8674    2.1050    3.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1355    1.5927    1.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2561    2.4004    0.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2714    0.2088    1.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5364   -0.2908    0.1583 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5145   -1.2155   -0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2429   -0.6601   -0.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2842   -1.3468    0.2494 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4803   -0.5693    1.2137 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9081   -0.7807    2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0396    0.0400    3.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -0.9602    1.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.4092   -0.0807 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6949   -0.8528   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    0.1467   -0.1811 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4486    0.2436   -1.4573 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7928    1.0902   -2.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    0.9545   -3.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    0.6129   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895    1.5856   -0.2376 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2821    2.7895   -0.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3833    1.2298    1.1168 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5336    1.0602    1.9983 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7912    1.8330    3.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9879    1.5751    3.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    2.7472    3.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -0.0475    1.0152 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8817   -0.3568    2.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -0.8796   -1.2590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1553    0.1802   -1.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.3798   -3.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    1.4727   -3.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981   -0.3952   -3.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -1.9977   -0.7621 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5007   -2.9284   -0.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8674   -1.8509   -1.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1779   -2.0737   -1.7969 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8254   -1.1117   -2.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1672   -1.4887   -2.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9498   -2.2245   -0.5325 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4293   -3.2581    0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9250   -0.8896    0.1788 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8477   -0.0588   -0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1926    1.4377    3.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    3.1148    3.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8020    2.1973    3.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1869   -0.5079    2.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    0.6071   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -2.0777    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -2.2201    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    0.5093    0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -1.8188    2.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084   -0.4313    2.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    0.8707    2.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    0.6731    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    1.1231   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867   -0.7982   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068    2.1609   -2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651    0.7542   -2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922    1.8743   -4.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730    1.8064   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898    3.5835   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935    2.0618    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.2945    1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9343    1.8818    3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9539    2.1965    4.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    0.5230    4.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -0.8529    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419   -1.2955    2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -1.3979   -2.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    0.8528   -1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    1.9894   -4.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884    2.2459   -3.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.0845   -4.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600   -2.4272   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -3.3797    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2332   -3.0783   -2.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3686   -1.3371   -3.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7205   -0.0616   -2.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2562   -2.3645   -3.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0046   -2.4340   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9366   -3.3816    1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   -1.0607    1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7404   -0.5191   -0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 22 27  1  0
 27 28  1  0
 13 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 29 34  1  0
 34 35  1  0
  6 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  5  1  0
 34  8  1  0
 27 15  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  6
  6 49  1  1
  8 50  1  1
  9 51  1  6
 10 52  1  0
 10 53  1  0
 11 54  1  0
 13 55  1  1
 15 56  1  1
 16 57  1  6
 17 58  1  0
 17 59  1  0
 18 60  1  0
 20 61  1  1
 21 62  1  0
 22 63  1  1
 23 64  1  0
 25 65  1  0
 25 66  1  0
 25 67  1  0
 27 68  1  6
 28 69  1  0
 29 70  1  6
 30 71  1  0
 32 72  1  0
 32 73  1  0
 32 74  1  0
 34 75  1  6
 35 76  1  0
 37 77  1  6
 38 78  1  0
 38 79  1  0
 39 80  1  0
 40 81  1  6
 41 82  1  0
 42 83  1  1
 43 84  1  0
M  END


  Mrv1652304101819532D          

 43 45  0  0  1  0            999 V2000
   13.3608   -6.9653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3650   -6.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6526   -5.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -6.1476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7896   -6.9727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0815   -5.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -7.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5105   -5.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5020   -7.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0688   -8.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569   -4.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2185   -6.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -7.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9295  -10.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3584  -10.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 15  1  1  0  0  0
 17 16  1  0  0  0  0
 21 16  1  0  0  0  0
 17 34  1  1  0  0  0
 19 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  6  0  0  0
 20 21  1  0  0  0  0
 21 33  1  1  0  0  0
 32 41  1  0  0  0  0
 34 35  1  0  0  0  0
 42 41  1  0  0  0  0
 43 41  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  2  3  1  1  0  0  0
 11  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  6  0  0  0
  7 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  9 12  1  0  0  0  0
  1 15  1  6  0  0  0
 16 29  1  6  0  0  0
 28 22  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  6  0  0  0
 27 23  1  0  0  0  0
 23 36  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  1  0  0  0
 26 28  1  0  0  0  0
 26 30  1  6  0  0  0
 28 31  1  1  0  0  0
 36 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 30 38  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 14  15  16  17  18  19  20  21  33  34  35  41  42  43  32
M  SDI   1  4   10.4541   -9.2100    9.9591   -8.3527
M  SDI   1  4   12.6939   -6.7759   13.1846   -7.6358
M  SBL   1  2  29  30
M  SMT   1 n
M  END
> <DATABASE_ID>
HMDB0003362

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1

> <INCHI_KEY>
WZZVUHWLNMNWLW-VFCSDQTKSA-N

> <FORMULA>
C24H41N3O16

> <MOLECULAR_WEIGHT>
627.5928

> <EXACT_MASS>
627.248682279

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-2.51

> <ALOGPS_LOGS>
-0.92

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.58e+01 g/l

$$$$

HMDB0003362
     RDKit          3D
Chitin
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 41 82  1  0
 42 83  1  1
 43 84  1  0
M  END

HEADER    PROTEIN                                 10-APR-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-APR-18         0                                  
HETATM    1  C   UNK     0      24.940 -13.002   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.948 -11.462   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.618 -10.685   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      27.615 -11.476   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      27.607 -13.016   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      26.285 -10.699   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      26.270 -13.779   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      28.953 -10.712   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      28.937 -13.792   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      26.262 -15.318   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      23.626  -9.145   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      30.275 -13.029   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.604 -13.805   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      30.282 -11.489   0.000  0.00  0.00           O+0
HETATM   15  O     n     1      23.603 -13.765   0.000  0.00  0.00           O+0
HETATM   16  C     n     1      19.601 -16.075   0.000  0.00  0.00           C+0
HETATM   17  C     n     1      19.601 -14.535   0.000  0.00  0.00           C+0
HETATM   18  C     n     1      22.269 -14.535   0.000  0.00  0.00           C+0
HETATM   19  O     n     1      20.935 -13.765   0.000  0.00  0.00           O+0
HETATM   20  C     n     1      22.269 -16.075   0.000  0.00  0.00           C+0
HETATM   21  C     n     1      20.935 -16.845   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.267 -14.535   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.600 -13.765   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.933 -13.766   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      16.934 -16.075   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.600 -16.845   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.934 -14.535   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      14.267 -16.075   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      18.268 -16.845   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      15.601 -18.385   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0      12.933 -16.845   0.000  0.00  0.00           O+0
HETATM   32  N     n     1      23.602 -16.845   0.000  0.00  0.00           N+0
HETATM   33  O     n     1      20.935 -18.385   0.000  0.00  0.00           O+0
HETATM   34  C     n     1      18.268 -13.765   0.000  0.00  0.00           C+0
HETATM   35  O     n     1      18.268 -12.225   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      15.600 -12.225   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.266 -11.455   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      16.935 -19.155   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      16.935 -20.695   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      18.268 -18.384   0.000  0.00  0.00           C+0
HETATM   41  C     n     1      23.602 -18.385   0.000  0.00  0.00           C+0
HETATM   42  C     n     1      22.268 -19.155   0.000  0.00  0.00           C+0
HETATM   43  O     n     1      24.936 -19.155   0.000  0.00  0.00           O+0
CONECT    1    7    2   15                                                  
CONECT    2    1    6    3                                                  
CONECT    3    2   11                                                       
CONECT    4    5    6    8                                                  
CONECT    5    4    7    9                                                  
CONECT    6    2    4                                                       
CONECT    7    1    5   10                                                  
CONECT    8    4                                                            
CONECT    9    5   12                                                       
CONECT   10    7                                                            
CONECT   11    3                                                            
CONECT   12   13   14    9                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   18    1                                                       
CONECT   16   17   21   29                                                  
CONECT   17   16   34   19                                                  
CONECT   18   15   19   20                                                  
CONECT   19   17   18                                                       
CONECT   20   18   32   21                                                  
CONECT   21   16   20   33                                                  
CONECT   22   28   23   24                                                  
CONECT   23   22   27   36                                                  
CONECT   24   22                                                            
CONECT   25   26   27   29                                                  
CONECT   26   25   28   30                                                  
CONECT   27   23   25                                                       
CONECT   28   22   26   31                                                  
CONECT   29   16   25                                                       
CONECT   30   26   38                                                       
CONECT   31   28                                                            
CONECT   32   20   41                                                       
CONECT   33   21                                                            
CONECT   34   17   35                                                       
CONECT   35   34                                                            
CONECT   36   23   37                                                       
CONECT   37   36                                                            
CONECT   38   39   40   30                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   32   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

COMPND    HMDB0003362
HETATM    1  C1  UNL     1      -3.867   2.105   3.121  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.135   1.593   1.777  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.256   2.400   0.807  1.00  0.00           O  
HETATM    4  N1  UNL     1      -4.271   0.209   1.486  1.00  0.00           N  
HETATM    5  C3  UNL     1      -4.536  -0.291   0.158  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.515  -1.215  -0.371  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.243  -0.660  -0.472  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.284  -1.347   0.249  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.480  -0.569   1.214  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.908  -0.781   2.661  1.00  0.00           C  
HETATM   11  O3  UNL     1      -0.040   0.040   3.422  1.00  0.00           O  
HETATM   12  O4  UNL     1       0.868  -0.960   1.109  1.00  0.00           O  
HETATM   13  C8  UNL     1       1.374  -0.409  -0.081  1.00  0.00           C  
HETATM   14  O5  UNL     1       2.695  -0.853  -0.231  1.00  0.00           O  
HETATM   15  C9  UNL     1       3.630   0.147  -0.181  1.00  0.00           C  
HETATM   16  C10 UNL     1       4.449   0.244  -1.457  1.00  0.00           C  
HETATM   17  C11 UNL     1       3.793   1.090  -2.517  1.00  0.00           C  
HETATM   18  O6  UNL     1       4.516   0.955  -3.714  1.00  0.00           O  
HETATM   19  O7  UNL     1       5.754   0.613  -1.209  1.00  0.00           O  
HETATM   20  C12 UNL     1       5.890   1.586  -0.238  1.00  0.00           C  
HETATM   21  O8  UNL     1       5.282   2.790  -0.607  1.00  0.00           O  
HETATM   22  C13 UNL     1       5.383   1.230   1.117  1.00  0.00           C  
HETATM   23  N2  UNL     1       6.534   1.060   1.998  1.00  0.00           N  
HETATM   24  C14 UNL     1       6.791   1.833   3.133  1.00  0.00           C  
HETATM   25  C15 UNL     1       7.988   1.575   3.955  1.00  0.00           C  
HETATM   26  O9  UNL     1       6.004   2.747   3.453  1.00  0.00           O  
HETATM   27  C16 UNL     1       4.581  -0.047   1.015  1.00  0.00           C  
HETATM   28  O10 UNL     1       3.882  -0.357   2.157  1.00  0.00           O  
HETATM   29  C17 UNL     1       0.583  -0.880  -1.259  1.00  0.00           C  
HETATM   30  N3  UNL     1      -0.155   0.180  -1.867  1.00  0.00           N  
HETATM   31  C18 UNL     1      -0.106   0.380  -3.281  1.00  0.00           C  
HETATM   32  C19 UNL     1      -0.864   1.473  -3.939  1.00  0.00           C  
HETATM   33  O11 UNL     1       0.598  -0.395  -3.962  1.00  0.00           O  
HETATM   34  C20 UNL     1      -0.328  -1.998  -0.762  1.00  0.00           C  
HETATM   35  O12 UNL     1       0.501  -2.928  -0.141  1.00  0.00           O  
HETATM   36  O13 UNL     1      -3.867  -1.851  -1.552  1.00  0.00           O  
HETATM   37  C21 UNL     1      -5.178  -2.074  -1.797  1.00  0.00           C  
HETATM   38  C22 UNL     1      -5.825  -1.112  -2.774  1.00  0.00           C  
HETATM   39  O14 UNL     1      -7.167  -1.489  -2.903  1.00  0.00           O  
HETATM   40  C23 UNL     1      -5.950  -2.225  -0.532  1.00  0.00           C  
HETATM   41  O15 UNL     1      -5.429  -3.258   0.204  1.00  0.00           O  
HETATM   42  C24 UNL     1      -5.925  -0.890   0.179  1.00  0.00           C  
HETATM   43  O16 UNL     1      -6.848  -0.059  -0.442  1.00  0.00           O  
HETATM   44  H1  UNL     1      -3.193   1.438   3.654  1.00  0.00           H  
HETATM   45  H2  UNL     1      -3.417   3.115   3.034  1.00  0.00           H  
HETATM   46  H3  UNL     1      -4.802   2.197   3.738  1.00  0.00           H  
HETATM   47  H4  UNL     1      -4.187  -0.508   2.246  1.00  0.00           H  
HETATM   48  H5  UNL     1      -4.596   0.607  -0.512  1.00  0.00           H  
HETATM   49  H6  UNL     1      -3.406  -2.078   0.356  1.00  0.00           H  
HETATM   50  H7  UNL     1      -1.745  -2.220   0.804  1.00  0.00           H  
HETATM   51  H8  UNL     1      -0.487   0.509   0.969  1.00  0.00           H  
HETATM   52  H9  UNL     1      -0.684  -1.819   2.981  1.00  0.00           H  
HETATM   53  H10 UNL     1      -1.908  -0.431   2.893  1.00  0.00           H  
HETATM   54  H11 UNL     1       0.151   0.871   2.946  1.00  0.00           H  
HETATM   55  H12 UNL     1       1.278   0.673   0.029  1.00  0.00           H  
HETATM   56  H13 UNL     1       3.139   1.123  -0.030  1.00  0.00           H  
HETATM   57  H14 UNL     1       4.487  -0.798  -1.866  1.00  0.00           H  
HETATM   58  H15 UNL     1       3.707   2.161  -2.213  1.00  0.00           H  
HETATM   59  H16 UNL     1       2.765   0.754  -2.749  1.00  0.00           H  
HETATM   60  H17 UNL     1       4.692   1.874  -4.035  1.00  0.00           H  
HETATM   61  H18 UNL     1       6.973   1.806  -0.170  1.00  0.00           H  
HETATM   62  H19 UNL     1       5.790   3.584  -0.295  1.00  0.00           H  
HETATM   63  H20 UNL     1       4.794   2.062   1.587  1.00  0.00           H  
HETATM   64  H21 UNL     1       7.186   0.295   1.727  1.00  0.00           H  
HETATM   65  H22 UNL     1       8.934   1.882   3.419  1.00  0.00           H  
HETATM   66  H23 UNL     1       7.954   2.197   4.871  1.00  0.00           H  
HETATM   67  H24 UNL     1       8.061   0.523   4.305  1.00  0.00           H  
HETATM   68  H25 UNL     1       5.302  -0.853   0.760  1.00  0.00           H  
HETATM   69  H26 UNL     1       3.542  -1.296   2.041  1.00  0.00           H  
HETATM   70  H27 UNL     1       1.238  -1.398  -2.022  1.00  0.00           H  
HETATM   71  H28 UNL     1      -0.751   0.853  -1.343  1.00  0.00           H  
HETATM   72  H29 UNL     1      -0.274   1.989  -4.699  1.00  0.00           H  
HETATM   73  H30 UNL     1      -1.188   2.246  -3.192  1.00  0.00           H  
HETATM   74  H31 UNL     1      -1.823   1.085  -4.370  1.00  0.00           H  
HETATM   75  H32 UNL     1      -0.960  -2.427  -1.552  1.00  0.00           H  
HETATM   76  H33 UNL     1       0.042  -3.380   0.620  1.00  0.00           H  
HETATM   77  H34 UNL     1      -5.233  -3.078  -2.327  1.00  0.00           H  
HETATM   78  H35 UNL     1      -5.369  -1.337  -3.781  1.00  0.00           H  
HETATM   79  H36 UNL     1      -5.720  -0.062  -2.516  1.00  0.00           H  
HETATM   80  H37 UNL     1      -7.256  -2.365  -3.352  1.00  0.00           H  
HETATM   81  H38 UNL     1      -7.005  -2.434  -0.801  1.00  0.00           H  
HETATM   82  H39 UNL     1      -5.937  -3.382   1.023  1.00  0.00           H  
HETATM   83  H40 UNL     1      -6.267  -1.061   1.216  1.00  0.00           H  
HETATM   84  H41 UNL     1      -7.740  -0.519  -0.322  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    3    4
CONECT    4    5   47
CONECT    5    6   42   48
CONECT    6    7   36   49
CONECT    7    8
CONECT    8    9   34   50
CONECT    9   10   12   51
CONECT   10   11   52   53
CONECT   11   54
CONECT   12   13
CONECT   13   14   29   55
CONECT   14   15
CONECT   15   16   27   56
CONECT   16   17   19   57
CONECT   17   18   58   59
CONECT   18   60
CONECT   19   20
CONECT   20   21   22   61
CONECT   21   62
CONECT   22   23   27   63
CONECT   23   24   64
CONECT   24   25   26   26
CONECT   25   65   66   67
CONECT   27   28   68
CONECT   28   69
CONECT   29   30   34   70
CONECT   30   31   71
CONECT   31   32   33   33
CONECT   32   72   73   74
CONECT   34   35   75
CONECT   35   76
CONECT   36   37
CONECT   37   38   40   77
CONECT   38   39   78   79
CONECT   39   80
CONECT   40   41   42   81
CONECT   41   82
CONECT   42   43   83
CONECT   43   84
END

HMDB0003362
     RDKit          3D
Chitin
 84 86  0  0  0  0  0  0  0  0999 V2000
   -3.8674    2.1050    3.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1355    1.5927    1.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2561    2.4004    0.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2714    0.2088    1.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5364   -0.2908    0.1583 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5145   -1.2155   -0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2429   -0.6601   -0.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2842   -1.3468    0.2494 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4803   -0.5693    1.2137 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9081   -0.7807    2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0396    0.0400    3.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -0.9602    1.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.4092   -0.0807 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6949   -0.8528   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    0.1467   -0.1811 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4486    0.2436   -1.4573 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7928    1.0902   -2.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    0.9545   -3.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    0.6129   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895    1.5856   -0.2376 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2821    2.7895   -0.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3833    1.2298    1.1168 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5336    1.0602    1.9983 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7912    1.8330    3.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9879    1.5751    3.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    2.7472    3.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -0.0475    1.0152 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8817   -0.3568    2.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -0.8796   -1.2590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1553    0.1802   -1.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.3798   -3.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    1.4727   -3.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981   -0.3952   -3.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -1.9977   -0.7621 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5007   -2.9284   -0.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8674   -1.8509   -1.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1779   -2.0737   -1.7969 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8254   -1.1117   -2.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1672   -1.4887   -2.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9498   -2.2245   -0.5325 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4293   -3.2581    0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9250   -0.8896    0.1788 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8477   -0.0588   -0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1926    1.4377    3.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    3.1148    3.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8020    2.1973    3.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1869   -0.5079    2.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    0.6071   -0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -2.0777    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -2.2201    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    0.5093    0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -1.8188    2.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084   -0.4313    2.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    0.8707    2.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    0.6731    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    1.1231   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867   -0.7982   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068    2.1609   -2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651    0.7542   -2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922    1.8743   -4.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730    1.8064   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898    3.5835   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935    2.0618    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.2945    1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9343    1.8818    3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9539    2.1965    4.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    0.5230    4.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -0.8529    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419   -1.2955    2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -1.3979   -2.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    0.8528   -1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    1.9894   -4.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884    2.2459   -3.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.0845   -4.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600   -2.4272   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -3.3797    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2332   -3.0783   -2.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3686   -1.3371   -3.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7205   -0.0616   -2.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2562   -2.3645   -3.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0046   -2.4340   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9366   -3.3816    1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   -1.0607    1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7404   -0.5191   -0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 22 27  1  0
 27 28  1  0
 13 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 29 34  1  0
 34 35  1  0
  6 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  5  1  0
 34  8  1  0
 27 15  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  6
  6 49  1  1
  8 50  1  1
  9 51  1  6
 10 52  1  0
 10 53  1  0
 11 54  1  0
 13 55  1  1
 15 56  1  1
 16 57  1  6
 17 58  1  0
 17 59  1  0
 18 60  1  0
 20 61  1  1
 21 62  1  0
 22 63  1  1
 23 64  1  0
 25 65  1  0
 25 66  1  0
 25 67  1  0
 27 68  1  6
 28 69  1  0
 29 70  1  6
 30 71  1  0
 32 72  1  0
 32 73  1  0
 32 74  1  0
 34 75  1  6
 35 76  1  0
 37 77  1  6
 38 78  1  0
 38 79  1  0
 39 80  1  0
 40 81  1  6
 41 82  1  0
 42 83  1  1
 43 84  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(beta)-N,N',n''-triacetyl chitotriose	ChEBI
beta-D-GlcNAc-(1->4)-beta-D-glcnac-(1->4)-beta-D-glcnac	ChEBI
beta-N,N',n''-triacetylchitotriose	ChEBI
GlcNAcb1-4glcnacb1-4glcnacb	ChEBI
GlcNAcbeta1-4glcnacbeta1-4glcnacbeta	ChEBI
N,N',n''-triacetyl chitotriose beta-anomer	ChEBI
N-Acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine	ChEBI
(b)-N,N',n''-triacetyl chitotriose	Generator
(Β)-N,n',n''-triacetyl chitotriose	Generator
b-D-GlcNAc-(1->4)-b-D-glcnac-(1->4)-b-D-glcnac	Generator
Β-D-glcnac-(1->4)-β-D-glcnac-(1->4)-β-D-glcnac	Generator
b-N,N',n''-triacetylchitotriose	Generator
Β-N,n',n''-triacetylchitotriose	Generator
N,N',n''-triacetyl chitotriose b-anomer	Generator
N,N',n''-triacetyl chitotriose β-anomer	Generator
N-Acetyl-b-D-glucosaminyl-(1->4)-N-acetyl-b-D-glucosaminyl-(1->4)-N-acetyl-b-D-glucosamine	Generator
N-Acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosamine	Generator
b-D-GlcpNAc-(1->4)-b-D-glcpnac-(1->4)-b-D-glcpnac	HMDB
Β-D-glcpnac-(1->4)-β-D-glcpnac-(1->4)-β-D-glcpnac	HMDB

Chemical Formula

C₂₄H₄₁N₃O₁₆

Average Molecular Weight

627.5928

Monoisotopic Molecular Weight

627.248682279

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1398-61-4

SMILES

CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

InChI Identifier

InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1

InChI Key

WZZVUHWLNMNWLW-VFCSDQTKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Oligosaccharide
Acylaminosugar
N-acyl-alpha-hexosamine
Glycosyl compound
O-glycosyl compound
Oxane
Acetamide
Carboxamide group
Hemiacetal
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Alcohol
Primary alcohol
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glucosamine oligosaccharide (CHEBI:71404 )
amino trisaccharide (CHEBI:71404 )

Ontology

Not Available

Fibroblasts (HMDB: HMDB0003362)

Organ

Cellular substructure

Extracellular (HMDB: HMDB0003362)
Membrane (HMDB: HMDB0003362)

Intestine (HMDB: HMDB0003362)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Glutamate Metabolism (HMDB: HMDB0003362)
Amino Sugar Metabolism (HMDB: HMDB0003362)
Amino Sugar and Nucleotide Sugar Metabolism I (PathBank: SMP0000905)
Amino Sugar and Nucleotide Sugar Metabolism II (PathBank: SMP0000906)
Amino Sugar and Nucleotide Sugar Metabolism III (PathBank: SMP0000914)
Amino Sugar and Nucleotide Sugar Metabolism (PathBank: SMP0002331)
Chitin Biosynthesis (PathBank: SMP0094667)

Disease pathway

Tay-Sachs Disease (PathBank: SMP0000390)
4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency (PathBank: SMP0000243)
Homocarnosinosis (PathBank: SMP0000385)
Hyperinsulinism-Hyperammonemia Syndrome (PathBank: SMP0000339)
Sialuria or French Type Sialuria (PathBank: SMP0000216)
Salla Disease/Infantile Sialic Acid Storage Disease (PathBank: SMP0000240)
2-Hydroxyglutric Aciduria (D and L Form) (PathBank: SMP0000136)
Succinic Semialdehyde Dehydrogenase Deficiency (PathBank: SMP0000567)
G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease (PathBank: SMP0120599)

Role

Biological role

human metabolite (HMDB: HMDB0003362)

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

vulnerary (HMDB: HMDB0003362)

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	31 g/L	ALOGPS
logP	-2.5	ALOGPS
logS	-0.92	ALOGPS
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	231.583	30932474
DeepCCS	[M-H]-	229.859	30932474
DeepCCS	[M-2H]-	263.894	30932474
DeepCCS	[M+Na]+	237.912	30932474
AllCCS	[M+H]+	234.8	32859911
AllCCS	[M+H-H2O]+	234.0	32859911
AllCCS	[M+NH4]+	235.5	32859911
AllCCS	[M+Na]+	235.7	32859911
AllCCS	[M-H]-	236.0	32859911
AllCCS	[M+Na-2H]-	237.6	32859911
AllCCS	[M+HCOO]-	239.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Chitin	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	5184.8	Standard polar	33892256
Chitin	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4264.9	Standard non polar	33892256
Chitin	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	5107.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Chitin,1TMS,isomer #1	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4540.8	Semi standard non polar	33892256
Chitin,1TMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4510.9	Semi standard non polar	33892256
Chitin,1TMS,isomer #11	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4501.1	Semi standard non polar	33892256
Chitin,1TMS,isomer #2	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4528.3	Semi standard non polar	33892256
Chitin,1TMS,isomer #3	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4522.0	Semi standard non polar	33892256
Chitin,1TMS,isomer #4	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4530.9	Semi standard non polar	33892256
Chitin,1TMS,isomer #5	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4549.4	Semi standard non polar	33892256
Chitin,1TMS,isomer #6	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4544.8	Semi standard non polar	33892256
Chitin,1TMS,isomer #7	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4524.0	Semi standard non polar	33892256
Chitin,1TMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4528.0	Semi standard non polar	33892256
Chitin,1TMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4515.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #1	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4382.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4371.9	Semi standard non polar	33892256
Chitin,2TMS,isomer #11	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4372.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #12	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4377.2	Semi standard non polar	33892256
Chitin,2TMS,isomer #13	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4365.3	Semi standard non polar	33892256
Chitin,2TMS,isomer #14	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4371.0	Semi standard non polar	33892256
Chitin,2TMS,isomer #15	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4400.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #16	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4394.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #17	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4370.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #18	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4387.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #19	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4359.6	Semi standard non polar	33892256
Chitin,2TMS,isomer #2	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4376.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #20	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4370.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #21	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4357.0	Semi standard non polar	33892256
Chitin,2TMS,isomer #22	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4365.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #23	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4395.2	Semi standard non polar	33892256
Chitin,2TMS,isomer #24	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4388.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #25	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4366.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #26	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4382.9	Semi standard non polar	33892256
Chitin,2TMS,isomer #27	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4358.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #28	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4370.3	Semi standard non polar	33892256
Chitin,2TMS,isomer #29	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4357.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #3	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4368.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #30	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4401.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #31	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4384.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #32	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4362.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #33	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4383.3	Semi standard non polar	33892256
Chitin,2TMS,isomer #34	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4358.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #35	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4397.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #36	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4393.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #37	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4394.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #38	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4379.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #39	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4398.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #4	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4373.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #40	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4380.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #41	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4390.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #42	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4388.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #43	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4365.7	Semi standard non polar	33892256
Chitin,2TMS,isomer #44	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4386.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #45	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4400.9	Semi standard non polar	33892256
Chitin,2TMS,isomer #46	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4357.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #47	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4370.2	Semi standard non polar	33892256
Chitin,2TMS,isomer #48	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4371.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #49	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4396.5	Semi standard non polar	33892256
Chitin,2TMS,isomer #5	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4383.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #50	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4383.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #51	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4406.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #52	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4371.9	Semi standard non polar	33892256
Chitin,2TMS,isomer #53	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4388.2	Semi standard non polar	33892256
Chitin,2TMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4366.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #55	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4377.8	Semi standard non polar	33892256
Chitin,2TMS,isomer #6	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4413.2	Semi standard non polar	33892256
Chitin,2TMS,isomer #7	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4408.4	Semi standard non polar	33892256
Chitin,2TMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4388.1	Semi standard non polar	33892256
Chitin,2TMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4399.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #1	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4294.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4282.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #100	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4328.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #101	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4303.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #102	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4326.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #103	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4304.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #104	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4291.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #105	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4319.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #106	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4323.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #107	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4271.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #108	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4287.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #109	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4266.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #11	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4281.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #110	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4287.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #111	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4346.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #112	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4333.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #113	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4294.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #114	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4314.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #115	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4280.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #116	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4332.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #117	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4323.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #118	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4277.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #119	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4292.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #12	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4286.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #120	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4302.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #121	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4336.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #122	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4311.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #123	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4331.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #124	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4307.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #125	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4297.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #126	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4326.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #127	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4317.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #128	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4267.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #129	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4280.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #13	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4333.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #130	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4271.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #131	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4327.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #132	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4322.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #133	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4306.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #134	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4341.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #135	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4308.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #136	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O[Si](C)(C)C	4314.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #137	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4294.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #138	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4309.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #139	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4330.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #14	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4323.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #140	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4285.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #141	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4309.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #142	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4335.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #143	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4263.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #144	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4269.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #145	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4266.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #146	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4323.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #147	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4299.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #148	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4335.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #149	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4337.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #15	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4288.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #150	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4323.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #151	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4307.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #152	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4324.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #153	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4284.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #154	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4252.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #155	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4292.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #156	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4302.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #157	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4315.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #158	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4329.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #159	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4308.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #16	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4302.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #160	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4277.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #161	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4290.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #162	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4280.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #163	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4304.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #164	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4285.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #165	CC(=O)N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	4282.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #17	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4267.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #18	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4277.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #19	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4285.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #2	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4282.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #20	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4323.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #21	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4319.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #22	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4287.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #23	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4362.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #24	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4270.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #25	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4285.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #26	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4325.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #27	CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4324.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #28	CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4294.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #29	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4300.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #3	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4292.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #30	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4316.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #31	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4344.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #32	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4333.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #33	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4288.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #34	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4302.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #35	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4273.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #36	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4321.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #37	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4295.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #38	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4328.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #39	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4297.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #4	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4294.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #40	CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3NC(C)=O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4287.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #41	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4322.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #42	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4330.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #43	CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4268.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #44	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4298.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #45	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4277.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #46	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4297.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #47	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4293.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #48	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4297.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #49	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4343.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #5	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4341.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #50	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4328.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #51	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4289.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #52	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4311.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #53	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4276.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4289.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #55	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4294.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #56	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4340.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #57	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4332.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #58	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4300.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #59	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4317.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #6	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4331.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #60	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4282.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #61	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4279.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #62	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4329.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #63	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4324.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #64	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4285.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #65	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4294.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #66	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4299.3	Semi standard non polar	33892256
Chitin,3TMS,isomer #67	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4345.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #68	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4328.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #69	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4288.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #7	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4290.6	Semi standard non polar	33892256
Chitin,3TMS,isomer #70	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4312.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #71	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4274.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #72	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4326.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #73	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4299.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #74	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4328.7	Semi standard non polar	33892256
Chitin,3TMS,isomer #75	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4297.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #76	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4287.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #77	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4321.0	Semi standard non polar	33892256
Chitin,3TMS,isomer #78	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4317.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #79	CC(=O)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4273.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4301.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #80	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4289.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #81	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4271.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #82	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4291.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #83	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4294.4	Semi standard non polar	33892256
Chitin,3TMS,isomer #84	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4339.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #85	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4329.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #86	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4296.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #87	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4311.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #88	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4276.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #89	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4285.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4273.8	Semi standard non polar	33892256
Chitin,3TMS,isomer #90	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4333.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #91	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4326.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #92	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4288.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #93	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4295.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #94	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4297.2	Semi standard non polar	33892256
Chitin,3TMS,isomer #95	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4351.9	Semi standard non polar	33892256
Chitin,3TMS,isomer #96	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4331.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #97	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4288.5	Semi standard non polar	33892256
Chitin,3TMS,isomer #98	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4308.1	Semi standard non polar	33892256
Chitin,3TMS,isomer #99	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4278.0	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4696.8	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4700.5	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #11	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4687.7	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4711.4	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #3	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4697.2	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #4	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4708.7	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #5	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4713.5	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #6	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4719.0	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #7	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4697.5	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4701.4	Semi standard non polar	33892256
Chitin,1TBDMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4696.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4747.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4751.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #11	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4765.0	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #12	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4756.2	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #13	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4747.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #14	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4771.4	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #15	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4778.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #16	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4776.0	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #17	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4773.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #18	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4776.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #19	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4762.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4737.3	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #20	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4755.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #21	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4746.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #22	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4768.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #23	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4775.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #24	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4771.0	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #25	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4769.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #26	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4771.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #27	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4757.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #28	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4758.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #29	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4746.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #3	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4718.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #30	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4775.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #31	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4774.3	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #32	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4767.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #33	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4775.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #34	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4763.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #35	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4765.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #36	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4754.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #37	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4751.4	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #38	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4762.6	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #39	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4771.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #4	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4728.1	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #40	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4762.9	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #41	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4763.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #42	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4755.3	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #43	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4755.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #44	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4765.0	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #45	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4783.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #46	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4735.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #47	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4753.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #48	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4750.6	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #49	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4772.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #5	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4753.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #50	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4766.6	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #51	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4773.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #52	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4756.5	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #53	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4768.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4755.8	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #55	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4764.4	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #6	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4760.7	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #7	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4760.6	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4762.6	Semi standard non polar	33892256
Chitin,2TBDMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4756.2	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 - Chitin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Chitin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	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 - Chitin 10V, Negative-QTOF	splash10-006w-1352911000-863eeeb6aa19c4b1a13e	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 20V, Negative-QTOF	splash10-0a4i-2344295000-9c0b132184373172725c	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 40V, Negative-QTOF	splash10-0zfr-4957010000-d6d15cd685b32cc6a8cd	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 10V, Negative-QTOF	splash10-00ai-0000190000-6edcc24d4bf1dd7ae865	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 20V, Negative-QTOF	splash10-0a4i-5001391000-7e5b14aac0963d66ab7e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 40V, Negative-QTOF	splash10-0abc-9022240000-288bdbd056f808dedbb7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 10V, Positive-QTOF	splash10-01si-0020195000-2e6a56a958abe902a3e9	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 20V, Positive-QTOF	splash10-11ec-0273492000-ace7f79ec49825bd5fd6	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 40V, Positive-QTOF	splash10-0zmr-6594462000-c3586d5d836795b9e53a	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 10V, Positive-QTOF	splash10-116r-0251519000-1653bc016143a1446468	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 20V, Positive-QTOF	splash10-0m99-3941354000-8656850f46179cee5b75	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Chitin 40V, Positive-QTOF	splash10-01qi-7900000000-d7d93fd040c9f9381f77	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Fibroblasts
Intestine
Spleen
Testis

Pathways

Name	SMPDB/PathBank	KEGG
Glutamate Metabolism
Amino Sugar Metabolism
Sialuria or French Type Sialuria		Not Available
Salla Disease/Infantile Sialic Acid Storage Disease		Not Available
Tay-Sachs Disease		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB04194

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023154

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Chitin

METLIN ID

Not Available

PubChem Compound

444514

PDB ID

Not Available

ChEBI ID

71404

Food Biomarker Ontology

Not Available

VMH ID

M01436

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Kurita, Keisuke; Koyama, Yoshiyuki; Nishimura, Shinichiro; Kamiya, Mami. Facile preparation of water-soluble chitin from chitosan. Chemistry Letters (1989), (9), 1597-8.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Gheri G, Sgambati E, Thyrion GD, Vichi D, Orlandini GE: The oligosaccharidic content of the glycoconjugates of the prepubertal descended and undescended testis: lectin histochemical study. Ital J Anat Embryol. 2004 Apr-Jun;109(2):69-84. [PubMed:15481156 ]
Hatcher VB, Schwarzmann GO, Jeanloz RW, McArthur JW: Changes in the sialic acid concentration in the major cervical glycoprotein from the bonnet monkey (Macaca radiata) during a hormonally induced cycle. Fertil Steril. 1977 Jun;28(6):682-8. [PubMed:405259 ]
Collard CD, Montalto MC, Reenstra WR, Buras JA, Stahl GL: Endothelial oxidative stress activates the lectin complement pathway: role of cytokeratin 1. Am J Pathol. 2001 Sep;159(3):1045-54. [PubMed:11549596 ]
Nakajima M, Atsumi K, Kifune K, Miura K, Kanamaru H: Chitin is an effective material for sutures. Jpn J Surg. 1986 Nov;16(6):418-24. [PubMed:3820865 ]
Soule JB, Halverson AL, Becker RB, Pistole MC, Orenstein JM: A patient with acquired immunodeficiency syndrome and untreated Encephalitozoon (Septata) intestinalis microsporidiosis leading to small bowel perforation. Response to albendazole. Arch Pathol Lab Med. 1997 Aug;121(8):880-7. [PubMed:9278619 ]
Piskun RP, Pentiuk AA, Serkova VK, Polesia TL, Savitskaia EA: [Enterosorbents in the treatment of atherosclerosis]. Eksp Klin Farmakol. 1998 Mar-Apr;61(2):69-74. [PubMed:9621181 ]
Kawashita M, Nakao M, Minoda M, Kim HM, Beppu T, Miyamoto T, Kokubo T, Nakamura T: Apatite-forming ability of carboxyl group-containing polymer gels in a simulated body fluid. Biomaterials. 2003 Jun;24(14):2477-84. [PubMed:12695074 ]
Howling GI, Dettmar PW, Goddard PA, Hampson FC, Dornish M, Wood EJ: The effect of chitin and chitosan on the proliferation of human skin fibroblasts and keratinocytes in vitro. Biomaterials. 2001 Nov;22(22):2959-66. [PubMed:11575470 ]
Vasstrand EN, Jensen HB: Affinity chromatography of human saliva lysozyme and effect of pH and ionic strength on lytic activity. Scand J Dent Res. 1980 Jun;88(3):219-28. [PubMed:6932088 ]
Shibuya N, Nakamura K, Ogoshi K, Ohta T, Hori Y, Kodama K, Yamamoto M: Modification of mutagenic activities of pro-mutagens by glyco-ursodeoxycholic acid in the Ames assay. Tohoku J Exp Med. 1999 Sep;189(1):1-9. [PubMed:10622203 ]
Ishihara C, Yoshimatsu K, Tsuji M, Arikawa J, Saiki I, Tokura S, Azuma I: Anti-viral activity of sulfated chitin derivatives against Friend murine leukaemia and herpes simplex type-1 viruses. Vaccine. 1993;11(6):670-4. [PubMed:8391740 ]
Zampini M, Pruzzo C, Bondre VP, Tarsi R, Cosmo M, Bacciaglia A, Chhabra A, Srivastava R, Srivastava BS: Vibrio cholerae persistence in aquatic environments and colonization of intestinal cells: involvement of a common adhesion mechanism. FEMS Microbiol Lett. 2005 Mar 15;244(2):267-73. [PubMed:15766778 ]
Xu Y, Olman V, Xu D: Clustering gene expression data using a graph-theoretic approach: an application of minimum spanning trees. Bioinformatics. 2002 Apr;18(4):536-45. [PubMed:12016051 ]
Sharaev PN, Strelkov NS, Sannikova AA, Zvorykin IA, Men'shikova NN, Sakhabutdinova EP, Gabdrakhmanova NK: [The method for detection of urinary lysozyme]. Klin Lab Diagn. 2001 Apr;(4):52-3. [PubMed:11393034 ]
Farnia P, Mohammadi F, Zarifi Z, Tabatabee DJ, Ganavi J, Ghazisaeedi K, Farnia PK, Gheydi M, Bahadori M, Masjedi MR, Velayati AA: Improving sensitivity of direct microscopy for detection of acid-fast bacilli in sputum: use of chitin in mucus digestion. J Clin Microbiol. 2002 Feb;40(2):508-11. [PubMed:11825964 ]
Sano H, Matsukubo T, Shibasaki K, Itoi H, Takaesu Y: Inhibition of adsorption of oral streptococci to saliva treated hydroxyapatite by chitin derivatives. Bull Tokyo Dent Coll. 1991 Feb;32(1):9-17. [PubMed:1668072 ]
Johnson SM, Pappagianis D: The coccidioidal complement fixation and immunodiffusion-complement fixation antigen is a chitinase. Infect Immun. 1992 Jul;60(7):2588-92. [PubMed:1612728 ]

Enzymes

Enzyme Details

1. N-acetyl-D-glucosamine kinase

General function:: Carbohydrate transport and metabolism
Specific function:: Converts endogenous N-acetylglucosamine (GlcNAc), a major component of complex carbohydrates, from lysosomal degradation or nutritional sources into GlcNAc 6-phosphate. Involved in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway: although human is not able to catalyze formation of Neu5Gc due to the inactive CMAHP enzyme, Neu5Gc is present in food and must be degraded. Also has ManNAc kinase activity.
Gene Name:: NAGK
Uniprot ID:: Q9UJ70
Molecular weight:: 42037.295

Enzyme Details

2. Acidic mammalian chitinase

General function:: Involved in chitin binding
Specific function:: Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.
Gene Name:: CHIA
Uniprot ID:: Q9BZP6
Molecular weight:: Not Available

Enzyme Details

3. Chitotriosidase-1

General function:: Involved in chitin binding
Specific function:: Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.
Gene Name:: CHIT1
Uniprot ID:: Q13231
Molecular weight:: Not Available

Enzyme Details

4. Chitinase family protein 3

General function:: Involved in chitin binding
Specific function:: Not Available
Gene Name:: Not Available
Uniprot ID:: Q2VT96
Molecular weight:: 46615.5

Enzyme Details

5. Chitinase family protein V2

General function:: Involved in chitin binding
Specific function:: Not Available
Gene Name:: Not Available
Uniprot ID:: Q1M0P3
Molecular weight:: 33762.3

Enzyme Details

6. Chitinase family protein V1

General function:: Involved in chitin binding
Specific function:: Not Available
Gene Name:: Not Available
Uniprot ID:: Q1M0P4
Molecular weight:: 33747.3

Enzyme Details

7. CHIA protein

General function:: Involved in chitin binding
Specific function:: Not Available
Gene Name:: CHIA
Uniprot ID:: A5D6V7
Molecular weight:: 44306.1

Enzyme Details

8. Chitinase, acidic

General function:: Involved in chitin binding
Specific function:: Not Available
Gene Name:: CHIA
Uniprot ID:: Q5VUV5
Molecular weight:: 45461.2

Showing metabocard for Chitin (HMDB0003362)

MOL for HMDB0003362 (Chitin)

3D MOL for HMDB0003362 (Chitin)

3D SDF for HMDB0003362 (Chitin)

3D-SDF for HMDB0003362 (Chitin)

PDB for HMDB0003362 (Chitin)

3D PDB for HMDB0003362 (Chitin)

SMILES for HMDB0003362 (Chitin)

INCHI for HMDB0003362 (Chitin)

Structure for HMDB0003362 (Chitin)

3D Structure for HMDB0003362 (Chitin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes