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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:50 UTC

Update Date

2021-09-14 15:29:56 UTC

HMDB ID

HMDB0028877

Secondary Accession Numbers

HMDB28877

Metabolite Identification

Common Name

Hydroxyprolyl-Gamma-glutamate

Description

Hydroxyprolyl-Gamma-glutamate is a dipeptide composed of hydroxyproline and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

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

HMDB0028877
     RDKit          3D
Hydroxyprolyl-Gamma-glutamate
 35 35  0  0  0  0  0  0  0  0999 V2000
    5.5326    0.0098   -0.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669    0.0216   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -0.3547    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -0.3731    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -0.7763    1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -1.0389    2.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -0.8527    1.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.5715   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -0.2343   -1.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -0.6972   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672    0.3254    0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    0.2384    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4117    1.3894    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4403    0.0826   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959   -0.3854   -1.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876    1.3365   -1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    1.5139   -1.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891    2.3807   -1.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7925   -0.9962    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    0.4014    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723   -0.7685   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    0.3103    1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -1.3946    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001   -1.0652   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    0.6549   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352   -1.1438    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.6909    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    1.3543    0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    0.0677    1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1784   -0.6819    0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0375    1.2603    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1638   -0.6134   -1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6225    1.0839   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -1.2658   -2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626    2.4733   -0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15 10  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 14 33  1  0
 15 34  1  0
 18 35  1  0
M  END

  Mrv1652304062013462D          

 18 18  0  0  0  0            999 V2000
    4.6119    0.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -0.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286   -0.9626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    1.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409   -0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028877

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N3O5/c11-6(10(17)18)1-2-8(15)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4,11H2,(H,17,18)(H,13,15,16)

> <INCHI_KEY>
NPKNLZYTSOWNFP-UHFFFAOYSA-N

> <FORMULA>
C10H17N3O5

> <MOLECULAR_WEIGHT>
259.2591

> <EXACT_MASS>
259.116820669

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
25.127714189970025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid

> <ALOGPS_LOGP>
-3.05

> <JCHEM_LOGP>
-5.424390974130615

> <ALOGPS_LOGS>
-1.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.625986291519002

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8451555586010775

> <JCHEM_PKA_STRONGEST_BASIC>
9.594202436862533

> <JCHEM_POLAR_SURFACE_AREA>
141.75

> <JCHEM_REFRACTIVITY>
59.414300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028877
     RDKit          3D
Hydroxyprolyl-Gamma-glutamate
 35 35  0  0  0  0  0  0  0  0999 V2000
    5.5326    0.0098   -0.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669    0.0216   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -0.3547    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -0.3731    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -0.7763    1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -1.0389    2.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -0.8527    1.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.5715   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -0.2343   -1.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -0.6972   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672    0.3254    0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    0.2384    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4117    1.3894    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4403    0.0826   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959   -0.3854   -1.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876    1.3365   -1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    1.5139   -1.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891    2.3807   -1.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7925   -0.9962    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    0.4014    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723   -0.7685   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    0.3103    1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -1.3946    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001   -1.0652   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    0.6549   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352   -1.1438    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.6909    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    1.3543    0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    0.0677    1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1784   -0.6819    0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0375    1.2603    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1638   -0.6134   -1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6225    1.0839   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -1.2658   -2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626    2.4733   -0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15 10  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 14 33  1  0
 15 34  1  0
 18 35  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  N   UNK     0       8.609   0.369   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.609  -1.171   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.275  -1.941   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.942  -1.171   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.608  -1.941   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.608  -3.481   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       3.274  -1.171   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.941  -3.481   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.607  -1.171   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -0.800  -1.797   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.830  -0.652   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.060   0.681   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.687   2.088   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.446   0.361   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.943  -1.941   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.276  -1.171   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       9.943  -3.481   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   10                                                       
CONECT   16    2   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0028877
HETATM    1  N1  UNL     1       5.533   0.010  -0.037  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.167   0.022  -0.572  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.260  -0.355   0.554  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.827  -0.373   0.097  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.941  -0.776   1.251  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.430  -1.039   2.372  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.453  -0.853   1.045  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.093  -0.571  -0.189  1.00  0.00           C  
HETATM    9  O2  UNL     1      -0.413  -0.234  -1.169  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.573  -0.697  -0.247  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.267   0.325   0.626  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.688   0.238   0.100  1.00  0.00           C  
HETATM   13  O3  UNL     1      -5.412   1.389   0.389  1.00  0.00           O  
HETATM   14  C9  UNL     1      -4.440   0.083  -1.386  1.00  0.00           C  
HETATM   15  N3  UNL     1      -3.096  -0.385  -1.551  1.00  0.00           N  
HETATM   16  C10 UNL     1       3.888   1.336  -1.179  1.00  0.00           C  
HETATM   17  O4  UNL     1       2.807   1.514  -1.780  1.00  0.00           O  
HETATM   18  O5  UNL     1       4.789   2.381  -1.102  1.00  0.00           O  
HETATM   19  H1  UNL     1       5.793  -0.996   0.075  1.00  0.00           H  
HETATM   20  H2  UNL     1       5.463   0.401   0.927  1.00  0.00           H  
HETATM   21  H3  UNL     1       4.072  -0.768  -1.355  1.00  0.00           H  
HETATM   22  H4  UNL     1       3.394   0.310   1.444  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.548  -1.395   0.857  1.00  0.00           H  
HETATM   24  H6  UNL     1       1.700  -1.065  -0.754  1.00  0.00           H  
HETATM   25  H7  UNL     1       1.468   0.655  -0.155  1.00  0.00           H  
HETATM   26  H8  UNL     1      -1.035  -1.144   1.894  1.00  0.00           H  
HETATM   27  H9  UNL     1      -2.914  -1.691   0.056  1.00  0.00           H  
HETATM   28  H10 UNL     1      -2.894   1.354   0.462  1.00  0.00           H  
HETATM   29  H11 UNL     1      -3.204   0.068   1.698  1.00  0.00           H  
HETATM   30  H12 UNL     1      -5.178  -0.682   0.525  1.00  0.00           H  
HETATM   31  H13 UNL     1      -6.038   1.260   1.158  1.00  0.00           H  
HETATM   32  H14 UNL     1      -5.164  -0.613  -1.858  1.00  0.00           H  
HETATM   33  H15 UNL     1      -4.623   1.084  -1.850  1.00  0.00           H  
HETATM   34  H16 UNL     1      -3.057  -1.266  -2.124  1.00  0.00           H  
HETATM   35  H17 UNL     1       5.463   2.473  -0.332  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   16   21
CONECT    3    4   22   23
CONECT    4    5   24   25
CONECT    5    6    6    7
CONECT    7    8   26
CONECT    8    9    9   10
CONECT   10   11   15   27
CONECT   11   12   28   29
CONECT   12   13   14   30
CONECT   13   31
CONECT   14   15   32   33
CONECT   15   34
CONECT   16   17   17   18
CONECT   18   35
END

HMDB0028877
     RDKit          3D
Hydroxyprolyl-Gamma-glutamate
 35 35  0  0  0  0  0  0  0  0999 V2000
    5.5326    0.0098   -0.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669    0.0216   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -0.3547    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -0.3731    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -0.7763    1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -1.0389    2.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -0.8527    1.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.5715   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -0.2343   -1.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -0.6972   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672    0.3254    0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    0.2384    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4117    1.3894    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4403    0.0826   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959   -0.3854   -1.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876    1.3365   -1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    1.5139   -1.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891    2.3807   -1.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7925   -0.9962    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    0.4014    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723   -0.7685   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    0.3103    1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -1.3946    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001   -1.0652   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    0.6549   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352   -1.1438    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.6909    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    1.3543    0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    0.0677    1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1784   -0.6819    0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0375    1.2603    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1638   -0.6134   -1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6225    1.0839   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -1.2658   -2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626    2.4733   -0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15 10  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 14 33  1  0
 15 34  1  0
 18 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Hydroxyprolyl-g-glutamate	Generator
Hydroxyprolyl-g-glutamic acid	Generator
Hydroxyprolyl-gamma-glutamic acid	Generator
Hydroxyprolyl-γ-glutamate	Generator
Hydroxyprolyl-γ-glutamic acid	Generator
HP-GE dipeptide	HMDB
HPGE dipeptide	HMDB
Hpro-gglu	HMDB
Hydroxyproline gamma-glutamate dipeptide	HMDB
Hydroxyproline-gamma-glutamate dipeptide	HMDB
Hydroxyprolylgamma-glutamate	HMDB
L-Hydroxyprolyl-L-gamma-glutamate	HMDB
2-Amino-4-[(4-hydroxypyrrolidine-2-carbonyl)-C-hydroxycarbonimidoyl]butanoate	HMDB

Chemical Formula

C₁₀H₁₇N₃O₅

Average Molecular Weight

259.2591

Monoisotopic Molecular Weight

259.116820669

IUPAC Name

2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid

Traditional Name

2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O5/c11-6(10(17)18)1-2-8(15)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4,11H2,(H,17,18)(H,13,15,16)

InChI Key

NPKNLZYTSOWNFP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Proline or derivatives
Alpha-amino acid amide
Alpha-amino acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Hydroxy fatty acid
Heterocyclic fatty acid
Fatty acyl
Fatty acid
N-acyl-amine
Carboxylic acid imide, n-unsubstituted
Pyrrolidine
Carboxylic acid imide
Dicarboximide
1,2-aminoalcohol
Secondary alcohol
Amino acid
Carboxylic acid
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Secondary amine
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organic nitrogen compound
Organic oxide
Carbonyl group
Primary aliphatic amine
Organopnictogen compound
Amine
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028877)

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)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

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)

Equine

Horse (FooDB: FOOD00378)

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	-5.35	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	10.4 g/L	ALOGPS
logP	-3	ALOGPS
logP	-5.4	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.85	ChemAxon
pKa (Strongest Basic)	9.59	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.75 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	59.41 m³·mol⁻¹	ChemAxon
Polarizability	25.13 Å³	ChemAxon
Number of Rings	1	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
DarkChem	[M+H]+	159.691	31661259
DarkChem	[M-H]-	155.356	31661259
DeepCCS	[M+H]+	154.805	30932474
DeepCCS	[M-H]-	152.447	30932474
DeepCCS	[M-2H]-	185.713	30932474
DeepCCS	[M+Na]+	160.937	30932474
AllCCS	[M+H]+	156.2	32859911
AllCCS	[M+H-H2O]+	153.0	32859911
AllCCS	[M+NH4]+	159.3	32859911
AllCCS	[M+Na]+	160.1	32859911
AllCCS	[M-H]-	158.5	32859911
AllCCS	[M+Na-2H]-	158.5	32859911
AllCCS	[M+HCOO]-	158.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hydroxyprolyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O	3629.5	Standard polar	33892256
Hydroxyprolyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O	2286.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O	2757.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hydroxyprolyl-Gamma-glutamate,1TMS,isomer #1	C[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(N)C(=O)O)C1	2564.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O)CN1	2507.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O	2583.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C1CC(O)CN1	2512.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TMS,isomer #5	C[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(N)C(=O)O	2529.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1	2546.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C)C(=O)O	2582.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #11	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C1CC(O)CN1[Si](C)(C)C	2472.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1)C(=O)O	2622.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #3	C[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C)C1	2550.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #4	C[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C1	2479.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O[Si](C)(C)C	2581.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C	2453.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C	2499.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #8	C[Si](C)(C)N(C(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O)[Si](C)(C)C	2738.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C)C(=O)O	2574.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1)C(=O)O[Si](C)(C)C	2586.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1)C(=O)O[Si](C)(C)C	2491.8	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2572.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2532.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C	2433.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C	2525.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C1CC(O)CN1	2701.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C1CC(O)CN1	2579.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2692.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2608.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2518.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2531.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C	2431.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C	2517.0	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C	2528.5	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C	2505.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1	2765.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1	2561.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)C(=O)O	2529.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)C(=O)O	2543.0	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)C(=O)O	2602.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)C(=O)O	2545.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C1	2473.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)C1	2524.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1)N([Si](C)(C)C)[Si](C)(C)C	2717.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1)N([Si](C)(C)C)[Si](C)(C)C	2488.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2486.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2495.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1)N([Si](C)(C)C)[Si](C)(C)C	2721.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1)N([Si](C)(C)C)[Si](C)(C)C	2578.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2476.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2573.7	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C1CC(O)CN1[Si](C)(C)C	2647.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C1CC(O)CN1[Si](C)(C)C	2676.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2441.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2572.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2561.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2571.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C	2458.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C	2543.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C1	2712.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C1	2659.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1	2659.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1	2665.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2522.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2590.7	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2630.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2591.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2704.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2637.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2614.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2659.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2698.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2657.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2485.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2605.0	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C1	2660.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C1	2704.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2648.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2682.7	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2682.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C)CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2702.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(N)C(=O)O)C1	2817.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O)CN1	2776.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O	2844.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C1CC(O)CN1	2780.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(N)C(=O)O	2800.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1	3056.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)C(=O)O	3086.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C	2932.5	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)C(=O)O	3121.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)C1	3051.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C1	2959.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O[Si](C)(C)C(C)(C)C	3088.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C	2936.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C	3016.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C1CC(O)CN1)C(=O)O)[Si](C)(C)C(C)(C)C	3182.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C)C(=O)O	3057.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)C(=O)O[Si](C)(C)C(C)(C)C	3284.4	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)C(=O)O[Si](C)(C)C(C)(C)C	3058.0	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3266.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3104.8	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3111.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3095.3	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CC(O)CN1	3344.5	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CC(O)CN1	3092.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N1CC(O)CC1C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3156.8	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3192.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3083.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C	3112.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C	3069.0	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3243.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3091.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	3422.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	3110.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)C(=O)O	3223.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)C(=O)O	3067.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)C(=O)O	3322.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)C(=O)O	3101.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3160.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3093.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3387.5	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3060.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3172.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3030.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3602.3	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3287.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3312.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3287.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C	3516.6	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C	3346.1	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3319.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3245.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3476.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3273.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3332.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3267.9	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3619.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3325.5	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	3535.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CNC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	3303.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3389.2	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3270.6	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3504.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3282.8	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.7	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O)CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3354.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3679.8	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3471.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.0	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3488.4	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3518.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3435.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3742.9	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3497.2	Standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1[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	3689.1	Semi standard non polar	33892256
Hydroxyprolyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C1CC(O)CN1[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	3527.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxyprolyl-Gamma-glutamate GC-MS (Non-derivatized) - 70eV, Positive	splash10-000l-9330000000-b96ad8a8ec24eab8c564	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxyprolyl-Gamma-glutamate GC-MS (2 TMS) - 70eV, Positive	splash10-0a4r-5914000000-7a3bddf8651b6de202a3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxyprolyl-Gamma-glutamate 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 - Hydroxyprolyl-Gamma-glutamate 10V, Positive-QTOF	splash10-03dl-2790000000-9ec53f1d1baf007f0427	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 20V, Positive-QTOF	splash10-0j5j-6910000000-1fe9b6a01fb5c057dd85	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 40V, Positive-QTOF	splash10-014i-9100000000-97c6a436edadde57c242	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 10V, Negative-QTOF	splash10-0a4i-0290000000-ee9660ca4a48168f29b6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 20V, Negative-QTOF	splash10-01td-1950000000-b894c1d7a9d15717aaf0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 40V, Negative-QTOF	splash10-0006-9300000000-65a20a2b7fe42a591b18	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 10V, Negative-QTOF	splash10-0a6u-0590000000-b7501fc2c70100c78a6b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 20V, Negative-QTOF	splash10-004l-6910000000-e89b7159cc8f496f69b2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 40V, Negative-QTOF	splash10-0006-9200000000-cbd2f7296c5546e6ce43	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 10V, Positive-QTOF	splash10-03di-0390000000-880e7ce04c8a010bff0c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 20V, Positive-QTOF	splash10-03dj-5940000000-7eed70641db0779539e9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxyprolyl-Gamma-glutamate 40V, Positive-QTOF	splash10-0292-9500000000-9340e9a606c382b7a240	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)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

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

FDB111906

KNApSAcK ID

Not Available

Chemspider ID

35032812

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750768

PDB ID

Not Available

ChEBI ID

173850

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 Hydroxyprolyl-Gamma-glutamate (HMDB0028877)

MOL for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

3D MOL for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

3D SDF for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

3D-SDF for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

PDB for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

3D PDB for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

SMILES for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

INCHI for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

Structure for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

3D Structure for HMDB0028877 (Hydroxyprolyl-Gamma-glutamate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra