MiMeDB: Showing metabocard for gamma-Glutamylalanine (MMDBc0000441)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:37:49 UTC

Update Date

2024-04-30 19:32:25 UTC

Metabolite ID

MMDBc0000441

Metabolite Identification

Common Name

gamma-Glutamylalanine

Description

gamma-Glutamylalanine is a dipeptide composed of gamma-glutamate and alanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylalanine is a natural substrate of the enzyme (5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves gamma-glutamylalanine to produce L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-amino acids and gamma-glutamyl-gamma-glutamyl-amino acids. The latter are 'better' substrates of the enzyme than the corresponding gamma-glutamyl-amino acids (PMID: 2570694 , 2893631 ).

Structure

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

HMDB0006248
     RDKit          3D
gamma-Glutamylalanine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7285    0.7705   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502    0.0783    0.1670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6130   -0.2211   -0.2452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    0.3678    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491    1.1806    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.0384   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.7616    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.3660    0.1925 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4831    0.6781   -1.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -1.0839    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.5818    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -1.9426   -0.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -1.1376    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059   -2.2540    0.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0142   -1.0907    0.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    1.8164   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    0.2200   -1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014    0.7187   -0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    0.8083    1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865   -0.8971   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.0494   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    0.3448   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    1.8490    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.4540    1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.9206    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    0.0329   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    1.6815   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -2.1755   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2799   -0.6866    1.8417 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  1
  9 26  1  0
  9 27  1  0
 12 28  1  0
 15 29  1  0
M  END

      
  Mrv1652312091700132D          

 15 14  0  0  0  0            999 V2000
 2498.9276 2500.2058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6425 2499.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3574 2500.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0723 2499.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.7875 2500.2058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2502.5023 2499.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2172 2500.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5023 2498.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.7875 2501.0315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6425 2498.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2123 2499.7940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.4975 2500.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7826 2499.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4975 2501.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2123 2498.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000441

> <DATABASE_NAME>
MIME

> <SMILES>
C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1

> <INCHI_KEY>
WQXXXVRAFAKQJM-WHFBIAKZSA-N

> <FORMULA>
C8H14N2O5

> <MOLECULAR_WEIGHT>
218.2072

> <EXACT_MASS>
218.090271568

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.935963393730972

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

> <ALOGPS_LOGP>
-3.36

> <JCHEM_LOGP>
-3.8159177947397183

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.825455393275773

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9295800715632931

> <JCHEM_PKA_STRONGEST_BASIC>
9.312086881878784

> <JCHEM_POLAR_SURFACE_AREA>
129.71999999999997

> <JCHEM_REFRACTIVITY>
48.58510000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
g-glu-ala

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006248
     RDKit          3D
gamma-Glutamylalanine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7285    0.7705   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502    0.0783    0.1670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6130   -0.2211   -0.2452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    0.3678    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491    1.1806    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.0384   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.7616    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.3660    0.1925 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4831    0.6781   -1.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -1.0839    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.5818    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -1.9426   -0.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -1.1376    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059   -2.2540    0.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0142   -1.0907    0.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    1.8164   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    0.2200   -1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014    0.7187   -0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    0.8083    1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865   -0.8971   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.0494   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    0.3448   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    1.8490    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.4540    1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.9206    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    0.0329   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    1.6815   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -2.1755   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2799   -0.6866    1.8417 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  1
  9 26  1  0
  9 27  1  0
 12 28  1  0
 15 29  1  0
M  END

HEADER    PROTEIN                                 09-DEC-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-DEC-17         0                                  
HETATM    1  N   UNK     0    4664.6654667.051   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    4665.9994666.282   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    4667.3344667.051   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4668.6684666.282   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4670.0034667.051   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4671.3384666.282   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    4672.6724667.051   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    4671.3384664.741   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0    4670.0034668.592   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0    4665.9994664.741   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    4663.3304666.282   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4661.9954667.051   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    4660.6614666.282   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    4661.9954668.592   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    4663.3304664.741   0.000  0.00  0.00           C+0
CONECT    1    2   11                                                       
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5                                                            
CONECT   10    2                                                            
CONECT   11    1   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END

COMPND    HMDB0006248
HETATM    1  C1  UNL     1      -3.729   0.770  -0.952  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.950   0.078   0.167  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.613  -0.221  -0.245  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.495   0.368   0.381  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.649   1.181   1.328  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.871   0.038  -0.068  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.923   0.762   0.717  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.286   0.366   0.193  1.00  0.00           C  
HETATM    9  N2  UNL     1       3.483   0.678  -1.179  1.00  0.00           N  
HETATM   10  C7  UNL     1       3.525  -1.084   0.403  1.00  0.00           C  
HETATM   11  O2  UNL     1       3.405  -1.582   1.561  1.00  0.00           O  
HETATM   12  O3  UNL     1       3.884  -1.943  -0.632  1.00  0.00           O  
HETATM   13  C8  UNL     1      -3.695  -1.138   0.521  1.00  0.00           C  
HETATM   14  O4  UNL     1      -3.106  -2.254   0.427  1.00  0.00           O  
HETATM   15  O5  UNL     1      -5.014  -1.091   0.950  1.00  0.00           O  
HETATM   16  H1  UNL     1      -3.371   1.816  -1.008  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.592   0.220  -1.900  1.00  0.00           H  
HETATM   18  H3  UNL     1      -4.801   0.719  -0.689  1.00  0.00           H  
HETATM   19  H4  UNL     1      -2.914   0.808   1.009  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.486  -0.897  -1.033  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.060  -1.049  -0.036  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.990   0.345  -1.146  1.00  0.00           H  
HETATM   23  H8  UNL     1       1.746   1.849   0.608  1.00  0.00           H  
HETATM   24  H9  UNL     1       1.847   0.454   1.778  1.00  0.00           H  
HETATM   25  H10 UNL     1       4.064   0.921   0.791  1.00  0.00           H  
HETATM   26  H11 UNL     1       4.102   0.033  -1.696  1.00  0.00           H  
HETATM   27  H12 UNL     1       3.630   1.682  -1.392  1.00  0.00           H  
HETATM   28  H13 UNL     1       4.879  -2.175  -0.698  1.00  0.00           H  
HETATM   29  H14 UNL     1      -5.280  -0.687   1.842  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   13   19
CONECT    3    4   20
CONECT    4    5    5    6
CONECT    6    7   21   22
CONECT    7    8   23   24
CONECT    8    9   10   25
CONECT    9   26   27
CONECT   10   11   11   12
CONECT   12   28
CONECT   13   14   14   15
CONECT   15   29
END

HMDB0006248
     RDKit          3D
gamma-Glutamylalanine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7285    0.7705   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502    0.0783    0.1670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6130   -0.2211   -0.2452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    0.3678    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491    1.1806    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.0384   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.7616    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.3660    0.1925 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4831    0.6781   -1.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -1.0839    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.5818    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -1.9426   -0.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -1.1376    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059   -2.2540    0.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0142   -1.0907    0.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    1.8164   -1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    0.2200   -1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014    0.7187   -0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    0.8083    1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865   -0.8971   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.0494   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    0.3448   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    1.8490    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.4540    1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.9206    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    0.0329   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    1.6815   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -2.1755   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2799   -0.6866    1.8417 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  1
  9 26  1  0
  9 27  1  0
 12 28  1  0
 15 29  1  0
M  END

Synonyms

Value	Source
5-L-Glutamyl-L-alanine	ChEBI
gamma-L-Glutamyl-L-alanine	ChEBI
L-gamma-Glu-L-ala	ChEBI
N-L-gamma-Glutamyl-L-alanine	ChEBI
g-L-Glutamyl-L-alanine	Generator
Γ-L-glutamyl-L-alanine	Generator
L-g-Glu-L-ala	Generator
L-Γ-glu-L-ala	Generator
N-L-g-Glutamyl-L-alanine	Generator
N-L-Γ-glutamyl-L-alanine	Generator
g-Glutamylalanine	Generator
Γ-glutamylalanine	Generator
γ-Glu-Ala	HMDB
γ-L-Glu-L-Ala	HMDB
L-γ-Glutamyl-L-alanine	HMDB
N-γ-Glutamylalanine	HMDB
N-L-γ-Glutamylalanine	HMDB
gamma-Glu-Ala	HMDB
gamma-L-Glu-L-Ala	HMDB
L-gamma-Glutamyl-L-alanine	HMDB
N-gamma-Glutamylalanine	HMDB
N-L-gamma-Glutamylalanine	HMDB
gamma-Glutamylalanine	HMDB, ChEBI
5-L-Glutamylalanine	HMDB
g-Glu-Ala	HMDB
N-γ-L-Glutamyl-L-alanine	HMDB
N-gamma-L-Glutamyl-L-alanine	HMDB

Molecular Formula

C₈H₁₄N₂O₅

Average Mass

218.2072

Monoisotopic Mass

218.090271568

IUPAC Name

(2S)-2-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

Traditional Name

g-glu-ala

CAS Registry Number

Not Available

SMILES

C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1

InChI Key

WQXXXVRAFAKQJM-WHFBIAKZSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00al-9710000000-e2845b73a5e7cd81881f	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00dj-9332000000-f7980440d2535885b7ab	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00xr-2940000000-948d6e9385d802328937	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05br-6900000000-5f1480e854581ee71678	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4r-9200000000-58a633696455e707016d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0690000000-92c8a111979eb46fa59f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06dj-2930000000-1156c919eda2b8e49fae	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0076-9200000000-737e76bca1d968721a2a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000x-9330000000-8674f1f30751437e8bf9	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9300000000-a9c7516230cc6b7166c1	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-053u-9100000000-bb369086fe31b624af6c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-056r-1900000000-491b535e4d4e3214438c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9100000000-51f9fd3eeccf33a98c1c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000f-9000000000-d6a5f92f606e802c70be	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for gamma-Glutamylalanine (MMDBc0000441)

MOL for #<Metabolite:0x00007fb7b4a5d728>

3D MOL for #<Metabolite:0x00007fb7b4a5d728>

3D SDF for #<Metabolite:0x00007fb7b4a5d728>

3D-SDF for #<Metabolite:0x00007fb7b4a5d728>

PDB for #<Metabolite:0x00007fb7b4a5d728>

3D PDB for #<Metabolite:0x00007fb7b4a5d728>

SMILES for #<Metabolite:0x00007fb7b4a5d728>

INCHI for #<Metabolite:0x00007fb7b4a5d728>

Structure for #<Metabolite:0x00007fb7b4a5d728>

3D Structure for #<Metabolite:0x00007fb7b4a5d728>