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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:27 UTC

Update Date

2021-09-14 15:41:43 UTC

HMDB ID

HMDB0029037

Secondary Accession Numbers

HMDB29037

Metabolite Identification

Common Name

Serylglutamine

Description

Serylglutamine, also known as SQ or L-ser-L-GLN, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Serylglutamine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make serylglutamine a potential biomarker for the consumption of these foods. Serylglutamine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Serylglutamine.

Structure

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

HMDB0029037
     RDKit          3D
Serylglutamine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1128    0.8971    0.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -0.1992    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -1.1645    1.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -0.2934   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -0.0903    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.2736   -0.3794 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6598    0.0116    0.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    0.7334   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    1.0679   -1.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    1.1035    0.1853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3979    2.2656   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967   -0.0407    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -1.1596    0.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -1.7829   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -2.0741   -1.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -2.6743    0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    1.7457    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.9115   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -1.2734   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    0.4536   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    0.9046    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.9154    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.2244   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -0.2763    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854    1.2935    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0399    2.1701   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3072    3.1612   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9739   -0.2906   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    0.2641    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0662   -1.9417    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815   -2.7578    0.9957 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  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  6
  7 24  1  0
 10 25  1  1
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 16 31  1  0
M  END


  Mrv1652304062014102D          

 16 15  0  0  0  0            999 V2000
 2502.3014 2502.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2502.3014 2501.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2503.0245 2500.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7373 2501.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.0245 2500.1529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2502.3096 2499.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.5948 2500.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7373 2499.7393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.5866 2502.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.8718 2502.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.1570 2502.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.4421 2502.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.1570 2503.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.0163 2502.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7311 2502.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.0163 2503.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029037

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1

> <INCHI_KEY>
UJTZHGHXJKIAOS-WHFBIAKZSA-N

> <FORMULA>
C8H15N3O5

> <MOLECULAR_WEIGHT>
233.224

> <EXACT_MASS>
233.101170595

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
21.901211508672766

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-3.47

> <JCHEM_LOGP>
-5.588552860821955

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.278245473326706

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.426630989689509

> <JCHEM_PKA_STRONGEST_BASIC>
7.849346957400842

> <JCHEM_POLAR_SURFACE_AREA>
155.73999999999998

> <JCHEM_REFRACTIVITY>
51.95100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.16e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029037
     RDKit          3D
Serylglutamine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1128    0.8971    0.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -0.1992    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -1.1645    1.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -0.2934   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -0.0903    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.2736   -0.3794 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6598    0.0116    0.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    0.7334   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    1.0679   -1.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    1.1035    0.1853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3979    2.2656   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967   -0.0407    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -1.1596    0.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -1.7829   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -2.0741   -1.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -2.6743    0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    1.7457    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.9115   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -1.2734   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    0.4536   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    0.9046    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.9154    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.2244   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -0.2763    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854    1.2935    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0399    2.1701   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3072    3.1612   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9739   -0.2906   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    0.2641    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0662   -1.9417    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815   -2.7578    0.9957 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  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  6
  7 24  1  0
 10 25  1  1
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 16 31  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    4670.9634670.779   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4670.9634669.238   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4672.3124668.493   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4673.6434669.261   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4672.3124666.952   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4670.9784666.180   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    4669.6444666.952   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    4673.6434666.180   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    4669.6284671.548   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4668.2944670.779   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4666.9604671.548   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    4665.6254670.779   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0    4666.9604673.088   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    4672.2974671.548   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    4673.6314670.779   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    4672.2974673.088   0.000  0.00  0.00           O+0
CONECT    1    2    9   14                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5                                                            
CONECT    9    1   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    1   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0029037
HETATM    1  N1  UNL     1       5.113   0.897   0.494  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.251  -0.199   0.544  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.493  -1.164   1.343  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.045  -0.293  -0.316  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.766  -0.090   0.512  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.607  -0.274  -0.379  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.660   0.012   0.291  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.636   0.733  -0.485  1.00  0.00           C  
HETATM    9  O2  UNL     1      -1.478   1.068  -1.670  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.936   1.104   0.185  1.00  0.00           C  
HETATM   11  N3  UNL     1      -3.398   2.266  -0.528  1.00  0.00           N  
HETATM   12  C7  UNL     1      -3.897  -0.041   0.015  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.418  -1.160   0.660  1.00  0.00           O  
HETATM   14  C8  UNL     1       0.499  -1.783  -0.666  1.00  0.00           C  
HETATM   15  O4  UNL     1       0.378  -2.074  -1.936  1.00  0.00           O  
HETATM   16  O5  UNL     1       0.512  -2.674   0.335  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.839   1.746   1.058  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.979   0.912  -0.043  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.935  -1.273  -0.779  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.058   0.454  -1.132  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.813   0.905   0.920  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.761  -0.915   1.301  1.00  0.00           H  
HETATM   23  H7  UNL     1       0.634   0.224  -1.326  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.872  -0.276   1.243  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.785   1.294   1.249  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.040   2.170  -1.277  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.307   3.161  -0.007  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.974  -0.291  -1.051  1.00  0.00           H  
HETATM   29  H13 UNL     1      -4.933   0.264   0.342  1.00  0.00           H  
HETATM   30  H14 UNL     1      -4.066  -1.942   0.590  1.00  0.00           H  
HETATM   31  H15 UNL     1      -0.281  -2.758   0.996  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3    3    4
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7   14   23
CONECT    7    8   24
CONECT    8    9    9   10
CONECT   10   11   12   25
CONECT   11   26   27
CONECT   12   13   28   29
CONECT   13   30
CONECT   14   15   15   16
CONECT   16   31
END

HMDB0029037
     RDKit          3D
Serylglutamine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1128    0.8971    0.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -0.1992    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4927   -1.1645    1.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -0.2934   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -0.0903    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.2736   -0.3794 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6598    0.0116    0.2907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    0.7334   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    1.0679   -1.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    1.1035    0.1853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3979    2.2656   -0.5279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967   -0.0407    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -1.1596    0.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -1.7829   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -2.0741   -1.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -2.6743    0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    1.7457    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.9115   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -1.2734   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    0.4536   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    0.9046    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.9154    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.2244   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -0.2763    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854    1.2935    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0399    2.1701   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3072    3.1612   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9739   -0.2906   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    0.2641    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0662   -1.9417    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815   -2.7578    0.9957 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  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  6
  7 24  1  0
 10 25  1  1
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 13 30  1  0
 16 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Ser-L-GLN	ChEBI
Serinyl-glutamine	ChEBI
SQ	ChEBI
L-Seryl-L-glutamine	HMDB
N2-L-Seryl-L-glutamine	HMDB
N2-Serylglutamine	HMDB
S-Q Dipeptide	HMDB
SQ Dipeptide	HMDB
Ser-GLN	HMDB
Serine glutamine dipeptide	HMDB
Serine-glutamine dipeptide	HMDB
Serinylglutamine	HMDB
Seryl-glutamine	HMDB
Serylglutamine	ChEBI

Chemical Formula

C₈H₁₅N₃O₅

Average Molecular Weight

233.224

Monoisotopic Molecular Weight

233.101170595

IUPAC Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoic acid

CAS Registry Number

94421-66-6

SMILES

N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1

InChI Key

UJTZHGHXJKIAOS-WHFBIAKZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Serine or derivatives
N-acyl-l-glutamine
Alpha-amino acid or derivatives
Fatty amide
Fatty acid
Fatty acyl
Carboxylic acid salt
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxylic acid
Monocarboxylic acid or derivatives
Organonitrogen compound
Primary amine
Organic zwitterion
Primary aliphatic amine
Organic salt
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74808 )

Ontology

Not Available

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

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.59	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21.6 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-5.6	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	3.43	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	51.95 m³·mol⁻¹	ChemAxon
Polarizability	21.9 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	153.576	30932474
DeepCCS	[M-H]-	151.181	30932474
DeepCCS	[M-2H]-	184.101	30932474
DeepCCS	[M+Na]+	159.619	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Serylglutamine	N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3042.5	Standard polar	33892256
Serylglutamine	N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2106.2	Standard non polar	33892256
Serylglutamine	N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2569.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Serylglutamine,1TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2253.1	Semi standard non polar	33892256
Serylglutamine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO	2265.9	Semi standard non polar	33892256
Serylglutamine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2313.0	Semi standard non polar	33892256
Serylglutamine,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2364.7	Semi standard non polar	33892256
Serylglutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(N)=O)C(=O)O	2243.5	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2273.5	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2313.3	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C	2480.8	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2304.0	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2317.7	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O	2335.2	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2256.6	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C	2346.8	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2340.2	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2232.1	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O	2400.0	Semi standard non polar	33892256
Serylglutamine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2447.4	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2323.9	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2270.7	Standard non polar	33892256
Serylglutamine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CO	2441.5	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CO	2323.7	Standard non polar	33892256
Serylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2297.4	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2373.8	Standard non polar	33892256
Serylglutamine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2480.9	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2367.1	Standard non polar	33892256
Serylglutamine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2313.2	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2290.2	Standard non polar	33892256
Serylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2493.7	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2393.7	Standard non polar	33892256
Serylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2365.4	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2410.4	Standard non polar	33892256
Serylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2520.0	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2458.3	Standard non polar	33892256
Serylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2397.5	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2393.2	Standard non polar	33892256
Serylglutamine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2386.0	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2433.3	Standard non polar	33892256
Serylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2344.2	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2297.1	Standard non polar	33892256
Serylglutamine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2251.5	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2231.3	Standard non polar	33892256
Serylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2389.2	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2410.2	Standard non polar	33892256
Serylglutamine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2480.9	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2379.1	Standard non polar	33892256
Serylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2309.5	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2318.5	Standard non polar	33892256
Serylglutamine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2431.3	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2382.5	Standard non polar	33892256
Serylglutamine,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2305.5	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2363.7	Standard non polar	33892256
Serylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2417.8	Semi standard non polar	33892256
Serylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2356.7	Standard non polar	33892256
Serylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2400.3	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2408.6	Standard non polar	33892256
Serylglutamine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2392.1	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2443.3	Standard non polar	33892256
Serylglutamine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2483.2	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2434.3	Standard non polar	33892256
Serylglutamine,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2358.7	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2415.2	Standard non polar	33892256
Serylglutamine,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2514.9	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2488.5	Standard non polar	33892256
Serylglutamine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2378.5	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2472.5	Standard non polar	33892256
Serylglutamine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2444.5	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2430.7	Standard non polar	33892256
Serylglutamine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2624.6	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2534.7	Standard non polar	33892256
Serylglutamine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2451.9	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2492.0	Standard non polar	33892256
Serylglutamine,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2450.8	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2541.0	Standard non polar	33892256
Serylglutamine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2463.5	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2396.5	Standard non polar	33892256
Serylglutamine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2304.0	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2329.8	Standard non polar	33892256
Serylglutamine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2423.0	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2395.7	Standard non polar	33892256
Serylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2311.0	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2370.2	Standard non polar	33892256
Serylglutamine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2461.6	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2472.6	Standard non polar	33892256
Serylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2357.8	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2452.6	Standard non polar	33892256
Serylglutamine,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2526.6	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2508.8	Standard non polar	33892256
Serylglutamine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2459.3	Semi standard non polar	33892256
Serylglutamine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2433.0	Standard non polar	33892256
Serylglutamine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2455.7	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2485.1	Standard non polar	33892256
Serylglutamine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2468.4	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2496.5	Standard non polar	33892256
Serylglutamine,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2471.6	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2541.1	Standard non polar	33892256
Serylglutamine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2615.6	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2622.0	Standard non polar	33892256
Serylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2339.5	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2469.7	Standard non polar	33892256
Serylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2481.9	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2518.9	Standard non polar	33892256
Serylglutamine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2490.3	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2457.8	Standard non polar	33892256
Serylglutamine,5TMS,isomer #5	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2429.3	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #5	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2470.4	Standard non polar	33892256
Serylglutamine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2645.5	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2581.8	Standard non polar	33892256
Serylglutamine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2464.7	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2534.0	Standard non polar	33892256
Serylglutamine,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2497.9	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2553.8	Standard non polar	33892256
Serylglutamine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2628.8	Semi standard non polar	33892256
Serylglutamine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2571.6	Standard non polar	33892256
Serylglutamine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2616.5	Semi standard non polar	33892256
Serylglutamine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2600.6	Standard non polar	33892256
Serylglutamine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2474.7	Semi standard non polar	33892256
Serylglutamine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2556.8	Standard non polar	33892256
Serylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2509.5	Semi standard non polar	33892256
Serylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2571.9	Standard non polar	33892256
Serylglutamine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2644.3	Semi standard non polar	33892256
Serylglutamine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2645.2	Standard non polar	33892256
Serylglutamine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2652.7	Semi standard non polar	33892256
Serylglutamine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2631.1	Standard non polar	33892256
Serylglutamine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2698.0	Semi standard non polar	33892256
Serylglutamine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2666.2	Standard non polar	33892256
Serylglutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2510.3	Semi standard non polar	33892256
Serylglutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO	2517.1	Semi standard non polar	33892256
Serylglutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2573.1	Semi standard non polar	33892256
Serylglutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2649.1	Semi standard non polar	33892256
Serylglutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(N)=O)C(=O)O	2527.1	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2749.2	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2800.3	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C(C)(C)C	2950.7	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2819.1	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2779.2	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O	2810.8	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2738.0	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C(C)(C)C	2827.0	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2804.0	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2746.9	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O	2888.0	Semi standard non polar	33892256
Serylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2911.4	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2986.1	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2865.2	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CO	3110.1	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CO	2883.3	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	3006.1	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2886.8	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3147.3	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2907.5	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3021.2	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2849.4	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3179.9	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2931.2	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3066.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2879.5	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3212.5	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2950.2	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3117.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2913.4	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3074.6	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2938.6	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3011.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2854.5	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2937.6	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2821.2	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3035.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2920.4	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3143.0	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2934.1	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3005.9	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2864.8	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3096.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2934.6	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2991.7	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2869.7	Standard non polar	33892256
Serylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3070.9	Semi standard non polar	33892256
Serylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2877.7	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3251.3	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3060.5	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3273.3	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3108.8	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3357.8	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3112.8	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.5	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3060.0	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3412.4	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3131.7	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	3280.0	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	3137.3	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3341.5	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3120.5	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3504.8	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3201.4	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3339.5	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3131.5	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3376.8	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3149.1	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3359.6	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3093.7	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.3	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.7	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3299.6	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3090.3	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.8	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3048.7	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3342.9	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3144.5	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.9	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3072.1	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3424.3	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3137.6	Standard non polar	33892256
Serylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3348.1	Semi standard non polar	33892256
Serylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3115.6	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3531.9	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3273.1	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3529.8	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.0	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3568.7	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.8	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3658.4	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3383.4	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3406.7	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3226.3	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3609.3	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3280.7	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3567.7	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3281.5	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3487.3	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3276.1	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3712.7	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3353.7	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3520.3	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3297.0	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.5	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3308.2	Standard non polar	33892256
Serylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3697.8	Semi standard non polar	33892256
Serylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3358.2	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Serylglutamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Serylglutamine 10V, Positive-QTOF	splash10-02t9-6590000000-58d3d7a1c7aeb2c9bd00	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 20V, Positive-QTOF	splash10-03di-9820000000-62380090cbdbfc65cd4f	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 40V, Positive-QTOF	splash10-01ox-9200000000-f8fb5402194527278c4a	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 10V, Negative-QTOF	splash10-0f89-0390000000-8b44974c2447d0154543	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 20V, Negative-QTOF	splash10-06ry-5940000000-63435f59bf502e9e48da	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 40V, Negative-QTOF	splash10-0006-9100000000-ed51e150fa0d7a09402c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 10V, Negative-QTOF	splash10-001i-0390000000-8e0c727e8a55d86638b2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 20V, Negative-QTOF	splash10-004m-4910000000-ca0806503e5a6df9eee9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 40V, Negative-QTOF	splash10-0006-9600000000-098bb825520ff7854078	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 10V, Positive-QTOF	splash10-001i-0490000000-e145ebdda9ef0c3fd22a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 20V, Positive-QTOF	splash10-03e9-9730000000-4e3e72c4cb192cf2afd4	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Serylglutamine 40V, Positive-QTOF	splash10-01qc-9100000000-dda893dd8f03e53ab5ff	2021-09-25	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

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112045

KNApSAcK ID

Not Available

Chemspider ID

5379103

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7016081

PDB ID

Not Available

ChEBI ID

74808

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Serylglutamine (HMDB0029037)

MOL for HMDB0029037 (Serylglutamine)

3D MOL for HMDB0029037 (Serylglutamine)

3D SDF for HMDB0029037 (Serylglutamine)

3D-SDF for HMDB0029037 (Serylglutamine)

PDB for HMDB0029037 (Serylglutamine)

3D PDB for HMDB0029037 (Serylglutamine)

SMILES for HMDB0029037 (Serylglutamine)

INCHI for HMDB0029037 (Serylglutamine)

Structure for HMDB0029037 (Serylglutamine)

3D Structure for HMDB0029037 (Serylglutamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra