MiMeDB: Showing metabocard for Glutathione (MMDBc0029474)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:23:44 UTC

Update Date

2024-09-27 20:19:04 UTC

Metabolite ID

MMDBc0029474

Metabolite Identification

Common Name

Glutathione

Description

Glutathione (GSH) is a compound synthesized from cysteine. Like cysteine, glutathione contains the crucial thiol (-SH) group that makes it an effective antioxidant. There are virtually no living organisms on this planet-animal or plant whose cells don't contain some glutathione. Scientists have speculated that glutathione was essential to the very development of life on earth. Glutathione has many roles; in none does it act alone. It is a coenzyme in various enzymatic reactions. The most important of these are redox reactions, in which the thiol grouping on the cysteine portion of cell membranes protects against peroxidation; and conjugation reactions, in which glutathione binds with toxic chemicals in order to detoxify them. GSH is known as a substrate in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in the bacterial cytosol.

Structure

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

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 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  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

143
  Mrv1652309032023532D          

 20 19  0  0  1  0            999 V2000
    6.3799   -1.1096    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.1279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5220    0.5404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6655    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
 13  8  1  6  0  0  0
  8 15  1  0  0  0  0
 14  9  1  1  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029474

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHI_KEY>
RWSXRVCMGQZWBV-WDSKDSINSA-N

> <FORMULA>
C10H17N3O6S

> <MOLECULAR_WEIGHT>
307.323

> <EXACT_MASS>
307.083805981

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.11283212542198

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.74

> <JCHEM_LOGP>
-4.88467621618675

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.737311352465548

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9364037247697885

> <JCHEM_PKA_STRONGEST_BASIC>
9.223740958320658

> <JCHEM_POLAR_SURFACE_AREA>
158.82000000000002

> <JCHEM_REFRACTIVITY>
69.11490000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glutathione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 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  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 143                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  S   UNK     0      11.909  -2.071   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0      10.576  -1.301   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      14.577   2.549   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.907   1.009   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.241  -1.301   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      19.911   1.009   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      18.578  -1.301   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      11.909   1.009   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       6.574   2.549   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      15.910   0.239   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       7.908   0.239   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.242   1.009   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.243   0.239   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.574   1.009   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.576   0.239   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.243  -1.301   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.577   1.009   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.241   0.239   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.244   1.009   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.578   0.239   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   15                                                            
CONECT    3   17                                                            
CONECT    4   18                                                            
CONECT    5   18                                                            
CONECT    6   20                                                            
CONECT    7   20                                                            
CONECT    8   13   15                                                       
CONECT    9   14                                                            
CONECT   10   17   19                                                       
CONECT   11   12   14                                                       
CONECT   12   11   15                                                       
CONECT   13    8   16   17                                                  
CONECT   14    9   11   18                                                  
CONECT   15    2    8   12                                                  
CONECT   16    1   13                                                       
CONECT   17    3   10   13                                                  
CONECT   18    4    5   14                                                  
CONECT   19   10   20                                                       
CONECT   20    6    7   19                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0000125
HETATM    1  N1  UNL     1       5.069  -0.230   1.525  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.642  -0.441   1.350  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.497  -1.395   0.201  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.095  -1.755  -0.157  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.259  -0.608  -0.558  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.724   0.572  -0.610  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.103  -0.809  -0.900  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.942   0.308  -1.297  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.528   0.120  -2.671  1.00  0.00           C  
HETATM   10  S1  UNL     1      -2.548  -1.378  -2.723  1.00  0.00           S  
HETATM   11  C7  UNL     1      -2.097   0.419  -0.341  1.00  0.00           C  
HETATM   12  O2  UNL     1      -2.209  -0.382   0.610  1.00  0.00           O  
HETATM   13  N3  UNL     1      -3.056   1.434  -0.520  1.00  0.00           N  
HETATM   14  C8  UNL     1      -4.165   1.538   0.403  1.00  0.00           C  
HETATM   15  C9  UNL     1      -5.024   2.674   0.002  1.00  0.00           C  
HETATM   16  O3  UNL     1      -4.728   3.360  -0.998  1.00  0.00           O  
HETATM   17  O4  UNL     1      -6.164   2.949   0.773  1.00  0.00           O  
HETATM   18  C10 UNL     1       3.040  -1.020   2.591  1.00  0.00           C  
HETATM   19  O5  UNL     1       1.806  -1.252   2.621  1.00  0.00           O  
HETATM   20  O6  UNL     1       3.802  -1.312   3.715  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.556  -1.033   1.949  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.305   0.694   1.913  1.00  0.00           H  
HETATM   23  H3  UNL     1       3.154   0.535   1.206  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.128  -2.279   0.437  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.967  -0.924  -0.712  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.179  -2.413  -1.075  1.00  0.00           H  
HETATM   27  H7  UNL     1       1.594  -2.390   0.602  1.00  0.00           H  
HETATM   28  H8  UNL     1      -0.494  -1.768  -0.861  1.00  0.00           H  
HETATM   29  H9  UNL     1      -0.370   1.247  -1.283  1.00  0.00           H  
HETATM   30  H10 UNL     1      -0.758   0.100  -3.464  1.00  0.00           H  
HETATM   31  H11 UNL     1      -2.196   0.979  -2.863  1.00  0.00           H  
HETATM   32  H12 UNL     1      -1.862  -2.492  -2.201  1.00  0.00           H  
HETATM   33  H13 UNL     1      -2.962   2.120  -1.332  1.00  0.00           H  
HETATM   34  H14 UNL     1      -4.760   0.582   0.417  1.00  0.00           H  
HETATM   35  H15 UNL     1      -3.752   1.675   1.428  1.00  0.00           H  
HETATM   36  H16 UNL     1      -6.846   3.593   0.396  1.00  0.00           H  
HETATM   37  H17 UNL     1       4.748  -1.019   3.854  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   18   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6    6    7
CONECT    7    8   28
CONECT    8    9   11   29
CONECT    9   10   30   31
CONECT   10   32
CONECT   11   12   12   13
CONECT   13   14   33
CONECT   14   15   34   35
CONECT   15   16   16   17
CONECT   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0000125
     RDKit          3D
Glutathione
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.0693   -0.2304    1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.4408    1.3503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4971   -1.3945    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.7551   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -0.6084   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.5720   -0.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -0.8089   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.3075   -1.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5277    0.1198   -2.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3782   -2.7227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967    0.4190   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.3823    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.4339   -0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.5376    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0243    2.6738    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    3.3601   -0.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.9493    0.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.0201    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059   -1.2516    2.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3124    3.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -1.0334    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.6940    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    0.5354    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -2.2785    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.9238   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -2.4129   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -2.3901    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.7677   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.2472   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    0.1004   -3.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.9787   -2.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.4917   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.1198   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    0.5823    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.6754    1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    3.5933    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -1.0187    3.8540 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  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
 20 37  1  0
M  END

Synonyms

Value	Source
5-L-Glutamyl-L-cysteinylglycine	ChEBI
gamma-L-Glutamyl-L-cysteinyl-glycine	ChEBI
Glutathione-SH	ChEBI
GSH	ChEBI
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine	ChEBI
Reduced glutathione	ChEBI
Poly(gamma-glutamylcysteine)glycine	Kegg
(gamma-Glutamylcysteine)N-glycine	Kegg
Tathion	Kegg
g-L-Glutamyl-L-cysteinyl-glycine	Generator
Γ-L-glutamyl-L-cysteinyl-glycine	Generator
N-(N-g-L-Glutamyl-L-cysteinyl)glycine	Generator
N-(N-Γ-L-glutamyl-L-cysteinyl)glycine	Generator
Poly(g-glutamylcysteine)glycine	Generator
Poly(γ-glutamylcysteine)glycine	Generator
(g-Glutamylcysteine)N-glycine	Generator
(Γ-glutamylcysteine)N-glycine	Generator
Agifutol S	HMDB
Bakezyme RX	HMDB
Copren	HMDB
Deltathione	HMDB
gamma-Glutamylcysteinylglycine	HMDB
gamma-L-Glutamyl-L-cysteinylglycine	HMDB
Glutathion	HMDB
Glutathione red	HMDB
Glutathione reduced	HMDB
Glutatiol	HMDB
Glutatione	HMDB
Glutide	HMDB
Glutinal	HMDB
Isethion	HMDB
L-g-Glutamyl-L-cysteinyl-glycine	HMDB
L-gamma-Glutamyl-L-cysteinyl-glycine	HMDB
L-gamma-Glutamyl-L-cysteinylglycine	HMDB
L-Glutamyl-L-cysteinylglycine	HMDB
L-Glutathione	HMDB
L-Glutathione reduce	HMDB
Ledac	HMDB
Neuthion	HMDB
Red. glutathione	HMDB
Tathione	HMDB
Triptide	HMDB
Glutathione, reduced	HMDB
gamma L Glu L cys gly	HMDB
gamma-L-Glu-L-cys-gly	HMDB
gamma L Glutamyl L cysteinylglycine	HMDB

Molecular Formula

C₁₀H₁₇N₃O₆S

Average Mass

307.323

Monoisotopic Mass

307.083805981

IUPAC Name

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid

Traditional Name

glutathione

CAS Registry Number

70-18-8

SMILES

N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChI Key

RWSXRVCMGQZWBV-WDSKDSINSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
Amino acid or derivatives
Amino acid
Alkylthiol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Organopnictogen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

thiol (CHEBI:16856 )
L-cysteine derivative (CHEBI:16856 )
tripeptide (CHEBI:16856 )
Coenzymes (C00051 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.88 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-4.9	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	1.94	ChemAxon
pKa (Strongest Basic)	9.22	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	158.82 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	69.11 m³·mol⁻¹	ChemAxon
Polarizability	29.11 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-0a4i-0900000000-5841845f736f9a667622	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-0a4i-0900000000-bdecde153761cb67852e	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0a4i-0900000000-5841845f736f9a667622	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0a4i-0900000000-bdecde153761cb67852e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0a4i-1910000000-52bc43dd913b68d74f84	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-08fs-3960000000-63ce34def2ae94b95515	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0pb9-0921000000-88168b0a9f5fc5fead3f	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-7890000000-5853006f66d946dd3d2e	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0596-9112300000-e82cf72540c283d8e323	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 (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-004i-3795000000-d019cd7dcbad1f8a9e78	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-003r-9400000000-a83bf6292d41988256e3	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001i-9000000000-305a92f8a9ffea58fa0e	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0a4i-0009000000-e950bfc5867b391c6960	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-004i-0910000000-83f6c079d1112e74ecf4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-003r-0910000000-5b243cf8bd357ab270b1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0a4i-0009000000-29ef335479f56b620d88	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0a4i-0009001000-d1f5986166efa523d024	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-056s-0495300000-dba7be381fd1ef776527	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-004i-0920000000-de5b8a5a377324599b39	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-053r-0007920000-7500cef211e48c8ea244	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0a4i-0119003000-4eb7ed4e2a4cf6a83c66	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0uki-0290000000-6893386899c6eed6a1a6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-05g0-0190000000-cacc2de4ab18ed59798b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0a4i-0009000000-6b4268add43ab66ef015	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-08fr-0015009000-a01bdc13a34d6ce8416f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0uki-0290000000-ea94ec8247b4e025adbe	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0a4i-0039210000-e1f721157a9ea89959d6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0a59-0039210000-35ce450ea95922abf0e1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0a4i-0009000000-9b01fba547d1fcde113a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0006-0952000000-4a2a42699cf4aab2c559	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-002f-2900000000-bd9ba27b48b1322b7618	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-004m-5900000000-cc7184d5bba50e6e49d0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0a4i-9200000000-aecd0eb18a10c3ffb7ab	2012-08-31	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0729-4492000000-78a928563adf9038ba59	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Mitochondria

Biospecimen Locations

All Tissues
Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Feces
Placenta
Saliva
Urine

Tissue Locations

All Tissues
Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191752	Prostaglandin E synthase	Enzyme	O14684	Homo sapiens
MMDBp0191867	Glutathione reductase, mitochondrial	Unknown	P00390	Homo sapiens
MMDBp0191951	Peroxiredoxin-6	Enzyme	P30041	Homo sapiens
MMDBp0192059	Lactoylglutathione lyase	Unknown	Q04760	Homo sapiens
MMDBp0192157	S-formylglutathione hydrolase	Enzyme	P10768	Homo sapiens
MMDBp0192366	Gamma-glutamyltranspeptidase 1	Enzyme	P19440	Homo sapiens
MMDBp0192367	Gamma-glutamyltransferase 7	Enzyme	Q9UJ14	Homo sapiens
MMDBp0192411	Glutathione synthetase	Enzyme	P48637	Homo sapiens
MMDBp0192427	Leukotriene C4 synthase	Enzyme	Q16873	Homo sapiens
MMDBp0192428	Glutathione S-transferase Mu 2	Enzyme	P28161	Homo sapiens
MMDBp0192429	Glutathione peroxidase 7	Enzyme	Q96SL4	Homo sapiens
MMDBp0192430	Epididymal secretory glutathione peroxidase	Enzyme	O75715	Homo sapiens
MMDBp0192431	Glutathione S-transferase Mu 1	Enzyme	P09488	Homo sapiens
MMDBp0192432	Hydroxyacylglutathione hydrolase, mitochondrial	Unknown	Q16775	Homo sapiens
MMDBp0192433	Glutathione S-transferase kappa 1	Enzyme	Q9Y2Q3	Homo sapiens
MMDBp0192434	Microsomal glutathione S-transferase 3	Enzyme	O14880	Homo sapiens
MMDBp0192435	Glutathione S-transferase Mu 3	Enzyme	P21266	Homo sapiens
MMDBp0192436	Glutathione S-transferase A1	Enzyme	P08263	Homo sapiens
MMDBp0192437	Maleylacetoacetate isomerase	Enzyme	O43708	Homo sapiens
MMDBp0192438	Microsomal glutathione S-transferase 1	Enzyme	P10620	Homo sapiens
MMDBp0192439	Glutathione S-transferase Mu 4	Enzyme	Q03013	Homo sapiens
MMDBp0192440	Glutathione S-transferase Mu 5	Enzyme	P46439	Homo sapiens
MMDBp0192441	Microsomal glutathione S-transferase 2	Enzyme	Q99735	Homo sapiens
MMDBp0192442	Glutathione S-transferase omega-1	Enzyme	P78417	Homo sapiens
MMDBp0192443	Glutathione S-transferase A5	Enzyme	Q7RTV2	Homo sapiens
MMDBp0192444	Glutathione S-transferase A2	Enzyme	P09210	Homo sapiens
MMDBp0192445	Glutathione peroxidase 6	Enzyme	P59796	Homo sapiens
MMDBp0192446	Glutathione S-transferase A3	Enzyme	Q16772	Homo sapiens
MMDBp0192447	Glutathione S-transferase A4	Enzyme	O15217	Homo sapiens
MMDBp0192448	Glutathione peroxidase 1	Enzyme	P07203	Homo sapiens
MMDBp0192449	Phospholipid hydroperoxide glutathione peroxidase, mitochondrial	Enzyme	P36969	Homo sapiens
MMDBp0192450	Glutathione peroxidase 3	Enzyme	P22352	Homo sapiens
MMDBp0192451	Glutathione S-transferase omega-2	Enzyme	Q9H4Y5	Homo sapiens
MMDBp0192452	Glutathione S-transferase theta-1	Unknown	P30711	Homo sapiens
MMDBp0192453	Glutathione peroxidase 2	Enzyme	P18283	Homo sapiens
MMDBp0192454	Glutathione S-transferase P	Enzyme	P09211	Homo sapiens
MMDBp0193130	Hematopoietic prostaglandin D synthase	Enzyme	O60760	Homo sapiens
MMDBp0193190	Canalicular multispecific organic anion transporter 1	Transporter	Q92887	Homo sapiens
MMDBp0193204	Glutaredoxin-1	Enzyme	P35754	Homo sapiens
MMDBp0193300	Multidrug resistance-associated protein 1	Transporter	P33527	Homo sapiens
MMDBp0193395	Canalicular multispecific organic anion transporter 2	Transporter	O15438	Homo sapiens
MMDBp0193504	RalA-binding protein 1	Unknown	Q15311	Homo sapiens
MMDBp0193945	Multidrug resistance-associated protein 4	Transporter	O15439	Homo sapiens
MMDBp0193946	Multidrug resistance-associated protein 5	Transporter	O15440	Homo sapiens
MMDBp0194015	Glutaredoxin-2, mitochondrial	Enzyme	Q9NS18	Homo sapiens
MMDBp0194023	Hydroxyacylglutathione hydrolase-like protein	Unknown	Q6PII5	Homo sapiens
MMDBp0194151	Gamma-glutamyltransferase 6	Enzyme	Q6P531	Homo sapiens
MMDBp0194167	Thioredoxin domain-containing protein 12	Enzyme	O95881	Homo sapiens
MMDBp0196021	GGT7 protein	Enzyme	A0PJJ9	Homo sapiens
MMDBp0196022	Gamma-glutamyltransferase 5	Enzyme	P36269	Homo sapiens
MMDBp0196032	Glutathione S-transferase kappa 1	Enzyme	Q6FII1	Homo sapiens
MMDBp0196662	Glutathione S-transferase theta-2	Enzyme	P0CG29	Homo sapiens
MMDBp0196818	Gamma-glutamyltranspeptidase 2	Unknown	P36268
MMDBp0196819	Putative gamma-glutamyltranspeptidase 3	Unknown	A6NGU5
MMDBp0196824	Probable glutathione peroxidase 8	Unknown	Q8TED1
MMDBp0196825	Glutathione S-transferase theta-2B	Unknown	P0CG30
MMDBp0196826	Glutathione S-transferase theta-4	Unknown	A8MPT4

Human Pathways

Pathways

Name	SMPDB/PathBank
Arsenate Detoxification

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000561	Glutathione	L-Cysteine	Not Available	VMH; KEGG	15189131 932033
MMDBr0001144	Formaldehyde	S-Formylglutathione	alcohol dehydrogenase 5 (class III), chi polypeptide	VMH	4436331 8460164
MMDBr0001364	S-Lactoylglutathione	Glutathione	hydroxyacylglutathione hydrolase	VMH; KEGG	30371894
MMDBr0001381	Dehydroascorbic acid	Ascorbic acid	Not Available	VMH	15970797 16399380
MMDBr0001382	Oxidized glutathione	Glutathione	glutathione reductase	VMH	10708558
MMDBr0001383	Oxidized glutathione	Glutathione	glutathione reductase	VMH; KEGG	30371894
MMDBr0001384	Glutathione	Oxidized glutathione	Not Available	VMH	15802613 17015272 17015273
MMDBr0001385	Glutathione	Oxidized glutathione	glutathione peroxidase 1	VMH; KEGG	30371894
MMDBr0001386	Glutathione	Oxidized glutathione	glutathione peroxidase 1	VMH; KEGG	30371894
MMDBr0001387	Glutathione	Glutathione	Not Available	VMH	30371894
MMDBr0001389	gamma-Glutamylcysteine	Glutathione	Not Available	VMH; KEGG	30371894
MMDBr0001390	L-Alanine	Cysteinylglycine	gamma-glutamyltransferase 1	VMH	15469854
MMDBr0001538	Glutathione	S-Lactoylglutathione	alcohol dehydrogenase 5 (class III), chi polypeptide	VMH; KEGG	30371894
MMDBr0001595	Glutathione	Leukotriene C4	leukotriene C4 synthase	VMH; KEGG	30371894
MMDBr0002128	S-Formylglutathione	Formic acid	esterase D	VMH	4436331 8460164
MMDBr0002437	Glutathione	Oxidized glutathione	glutathione reductase	VMH	10781871 12821209 237878 31912 4380255 8981046 9621574
MMDBr0002438	Glutathione	Oxidized glutathione	glutathione reductase	VMH	10781871 12821209 237878 31912 4380255 8981046 9621574
MMDBr0002462	Glutathione	Cysteinylglycine	gamma-glutamyltransferase 1	VMH	1968061 3511062
MMDBr0002463	Glutathione	Cysteinylglycine	gamma-glutamyltransferase 1	VMH	1968061 3511062
MMDBr0002934	Formaldehyde	S-(Hydroxymethyl)glutathione	Not Available	VMH	30371894
MMDBr0003984	L-Alanine	gamma-Glutamylalanine	Not Available	VMH	7892271
MMDBr0004039	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-4-S-Glutathione	Not Available	VMH	9705753
MMDBr0004040	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-4-S-Glutathione	glutathione S-transferase kappa 1	VMH	9705753
MMDBr0004041	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-4-S-Glutathione	microsomal glutathione S-transferase 1	VMH	9705753
MMDBr0004042	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-4-S-Glutathione	glutathione S-transferase kappa 1	VMH	9705753
MMDBr0004066	Estrone-2,3-quinone	2-Hydroxyestrone-1-S-Glutathione	Not Available	VMH	12119004 9380738
MMDBr0004067	Estrone-2,3-quinone	2-Hydroxyestrone-1-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004068	Estrone-2,3-quinone	2-Hydroxyestrone-1-S-Glutathione	microsomal glutathione S-transferase 1	VMH	12119004 9380738
MMDBr0004069	Estrone-2,3-quinone	2-Hydroxyestrone-1-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004070	17Beta-Estradiol-3,4-Quinone	4-Hydroxy-17Beta-Estradiol-2-S-Glutathione	Not Available	VMH	12119004 9380738
MMDBr0004071	17Beta-Estradiol-3,4-Quinone	4-Hydroxy-17Beta-Estradiol-2-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004072	17Beta-Estradiol-3,4-Quinone	4-Hydroxy-17Beta-Estradiol-2-S-Glutathione	microsomal glutathione S-transferase 1	VMH	12119004 9380738
MMDBr0004073	17Beta-Estradiol-3,4-Quinone	4-Hydroxy-17Beta-Estradiol-2-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004074	Estrone-3,4-quinone	4-Hydroxyestrone-2-S-Glutathione	Not Available	VMH	12119004 9380738
MMDBr0004075	Estrone-3,4-quinone	4-Hydroxyestrone-2-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004076	Estrone-3,4-quinone	4-Hydroxyestrone-2-S-Glutathione	microsomal glutathione S-transferase 1	VMH	12119004 9380738
MMDBr0004077	Estrone-3,4-quinone	4-Hydroxyestrone-2-S-Glutathione	glutathione S-transferase kappa 1	VMH	12119004 9380738
MMDBr0004078	12-Oxo-Leukotriene B4	12-Oxo-C-Ltb3	Not Available	VMH	8244977
MMDBr0004079	12-Oxo-Leukotriene B4	12-Oxo-C-Ltb3	glutathione S-transferase kappa 1	VMH	8244977
MMDBr0004080	12-Oxo-Leukotriene B4	12-Oxo-C-Ltb3	microsomal glutathione S-transferase 1	VMH	8244977
MMDBr0004081	12-Oxo-Leukotriene B4	12-Oxo-C-Ltb3	glutathione S-transferase kappa 1	VMH	8244977
MMDBr0004121	Dopaquinone	5-S-Glutathionyl-L-Dopa	Not Available	VMH	10903891
MMDBr0004122	Dopaquinone	5-S-Glutathionyl-L-Dopa	glutathione S-transferase kappa 1	VMH	10903891
MMDBr0004154	Gama-Glutamylglutathione	Pyroglutamic acid	Not Available	VMH	2570694 6150932
MMDBr0004220	Dopamine O-Quinone	5-S-Glutathionyl-Dopamine	Not Available	VMH	10903891 9164836
MMDBr0004221	Dopamine O-Quinone	5-S-Glutathionyl-Dopamine	glutathione S-transferase kappa 1	VMH	10903891 9164836
MMDBr0004224	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-1-S-Glutathione	Not Available	VMH	9380738
MMDBr0004225	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-1-S-Glutathione	glutathione S-transferase kappa 1	VMH	9380738
MMDBr0004226	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-1-S-Glutathione	microsomal glutathione S-transferase 1	VMH	9380738
MMDBr0004227	17Beta-Estradiol-2,3-Quinone	2-Hydroxy-17Beta-Estradiol-1-S-Glutathione	glutathione S-transferase kappa 1	VMH	9380738
MMDBr0004228	Estrone-2,3-quinone	2-Hydroxyestrone-4-S-Glutathione	Not Available	VMH	9380738
MMDBr0004229	Estrone-2,3-quinone	2-Hydroxyestrone-4-S-Glutathione	glutathione S-transferase kappa 1	VMH	9380738
MMDBr0004230	Estrone-2,3-quinone	2-Hydroxyestrone-4-S-Glutathione	microsomal glutathione S-transferase 1	VMH	9380738
MMDBr0004231	Estrone-2,3-quinone	2-Hydroxyestrone-4-S-Glutathione	glutathione S-transferase kappa 1	VMH	9380738
MMDBr0004266	3-Hydroxykynurenine-O-Beta-D-Glucoside	Glutathionyl-3-Hydroxykynurenine Glucoside	Not Available	VMH	10409626
MMDBr0004267	3-Hydroxykynurenine-O-Beta-D-Glucoside	Glutathionyl-3-Hydroxykynurenine Glucoside	glutathione S-transferase kappa 1	VMH	10409626
MMDBr0004290	Adrenochrome	5-S-Glutathionyl-Adrenochrome Hydroquinone	Not Available	VMH	9038184 9164836
MMDBr0004291	Adrenochrome	5-S-Glutathionyl-Adrenochrome Hydroquinone	glutathione S-transferase kappa 1	VMH	9038184 9164836
MMDBr0004292	Noradrenochrome	5-S-Glutathionyl-Noradrenochrome Hydroquinone	Not Available	VMH	9038184 9164836
MMDBr0004293	Noradrenochrome	5-S-Glutathionyl-Noradrenochrome Hydroquinone	glutathione S-transferase kappa 1	VMH	9038184 9164836
MMDBr0004294	Glutathione	5-S-Glutathionyl-Dopachrome Hydroquinone	Not Available	VMH	10903891
MMDBr0004295	Glutathione	5-S-Glutathionyl-Dopachrome Hydroquinone	glutathione S-transferase kappa 1	VMH	10903891
MMDBr0004296	5,6-Dihydroxyindole	5-S-Glutathionyl-Aminochrome Reduced	Not Available	VMH	10783391 12042665 12618591 12720545 14742434 1885604 2034681 2345169 7587384 7789971 8276420 8307579 8473333 8617495 8703034 9278457 9396740 9417084 9480897 9503014
MMDBr0004297	5,6-Dihydroxyindole	5-S-Glutathionyl-Aminochrome Reduced	glutathione S-transferase kappa 1	VMH	10783391 12042665 12618591 12720545 14742434 1885604 2034681 2345169 7587384 7789971 8276420 8307579 8473333 8617495 8703034 9278457 9396740 9417084 9480897 9503014
MMDBr0004850	Leukotriene A5	Leukotriene C5	Not Available	VMH	6096400 6330066
MMDBr0004883	(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid	Hepoxilin A3-C	Not Available	VMH	9755286
MMDBr0004884	(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid	Hepoxilin A3-C	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004885	(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid	Hepoxilin A3-C	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004886	(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid	Hepoxilin A3-C	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004898	9-Deoxy-Delta12-Prostaglandin D2	S-(9-Deoxy-Delta12-Prostaglandin D2)-Glutathione	Not Available	VMH	9755286
MMDBr0004899	9-Deoxy-Delta12-Prostaglandin D2	S-(9-Deoxy-Delta12-Prostaglandin D2)-Glutathione	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004900	9-Deoxy-Delta12-Prostaglandin D2	S-(9-Deoxy-Delta12-Prostaglandin D2)-Glutathione	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004901	Prostaglandin J2	S-(Prostaglandin J2)-Glutathione	Not Available	VMH	9755286
MMDBr0004902	Prostaglandin J2	S-(Prostaglandin J2)-Glutathione	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004903	Prostaglandin J2	S-(Prostaglandin J2)-Glutathione	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004904	Delta12-Prostaglandin J2	S-(9-Deoxy-Delta9,12-Prostaglandin D2)-Glutathione	Not Available	VMH	9755286
MMDBr0004905	Delta12-Prostaglandin J2	S-(9-Deoxy-Delta9,12-Prostaglandin D2)-Glutathione	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004906	Delta12-Prostaglandin J2	S-(9-Deoxy-Delta9,12-Prostaglandin D2)-Glutathione	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004913	Glutathione	S-(Prostaglandin A2)-Glutathione	Not Available	VMH	9755286
MMDBr0004914	Glutathione	S-(Prostaglandin A2)-Glutathione	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004915	Glutathione	S-(Prostaglandin A2)-Glutathione	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004917	Glutathione	S-(Prostaglandin A1)-Glutathione	Not Available	VMH	9755286
MMDBr0004918	Glutathione	S-(Prostaglandin A1)-Glutathione	glutathione S-transferase kappa 1	VMH	9755286
MMDBr0004919	Glutathione	S-(Prostaglandin A1)-Glutathione	microsomal glutathione S-transferase 1	VMH	9755286
MMDBr0004970	Glutathione	S-[2-Carboxy-1-(1H-Imidazol-4-Yl)Ethyl]Glutathione	Not Available	VMH	11669511
MMDBr0006740	Glutathione	Oxidized glutathione	Not Available	VMH	30371894
MMDBr0007425	Cysteinylglycine	Glutathione	Not Available	VMH	30371894
MMDBr0007844	S-Lactoylglutathione	Glutathione	Not Available	VMH; KEGG	30371894
MMDBr0007850	Glutathionylspermidine	Glutathione	Not Available	VMH	30371894
MMDBr0007851	Glutathione	Glutathionylspermidine	Not Available	VMH	30371894
MMDBr0007852	Glutathione	Oxidized glutathione	Not Available	VMH	30371894
MMDBr0007889	Glutathione	S-Lactoylglutathione	Not Available	VMH; KEGG	30371894
MMDBr0009086	2,3-Dihydro-1H-Indole-5,6-Dione	4-S-Glutathionyl-5,6-Dihydroxyindoline	glutathione S-transferase mu 2 (muscle)	VMH	30371894
MMDBr0009395	5(S)-Hydroperoxyeicosatetraenoic acid	5-HETE	glutathione peroxidase 1	VMH; KEGG	30371894
MMDBr0009397	5(S)-Hydroperoxyeicosatetraenoic acid	5-HETE	glutathione peroxidase 1	VMH; KEGG	30371894
MMDBr0009405	Oxidized glutathione	15S-Hydroperoxyeicosatetraenoate	glutathione peroxidase 1	VMH; KEGG	30371894
MMDBr0009421	12(S)-HPETE	12-Hydroxyeicosatetraenoate	arachidonate 12-lipoxygenase	VMH	30371894
MMDBr0009422	12(S)-HPETE	12-Hydroxyeicosatetraenoate	arachidonate 12-lipoxygenase	VMH	30371894
MMDBr0009427	Glutathione	Oxidized glutathione	arachidonate 12-lipoxygenase	VMH	30371894
MMDBr0009436	Glutathione	Leukotriene C4	leukotriene C4 synthase	VMH	30371894
MMDBr0010456	4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene	Benzo[a]pyrene-4,5-oxide	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010459	Glutathione	7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010463	Glutathione	(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010473	Glutathione	(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010481	2,3-Epoxyaflatoxin B1	Aflatoxin B1exo-8,9-epoxide-GSH	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010494	Glutathione	3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010503	Glutathione	2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010530	Glutathione	1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010531	Glutathione	1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010534	Glutathione	1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010535	Glutathione	1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010540	Glutathione	S-(2,2-Dichloro-1-hydroxy)ethyl glutathione	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010543	Glutathione	2-(S-Glutathionyl)acetyl chloride	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010544	Glutathione	2-(S-Glutathionyl)acetyl glutathione	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010546	2-(S-Glutathionyl)acetyl glutathione	Glutathione	Not Available	VMH; KEGG	30371894
MMDBr0010548	Glutathione	Hydrochloric acid	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010550	Glutathione	Hydrobromic Acid	glutathione S-transferase alpha 1	VMH; KEGG	30371894
MMDBr0010551	Glutathione	Glutathione episulfonium ion	Not Available	VMH; KEGG	30371894
MMDBr0010864	Glutathione	Oxidized glutathione	Not Available	VMH	30371894
MMDBr0010921	Glutathione	Oxidized glutathione	Not Available	VMH	30371894
MMDBr0010922	Glutathione	Oxidized glutathione	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Canavan disease		Association	Human Blood	HMDB	16139832
Gamma-glutamyl transpeptidase deficiency		Association	Human Urine	HMDB	238530
Gamma-glutamyl transpeptidase deficiency	Decreased	Association	Human Blood	HMDB	238530
Multiple sclerosis	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	12938853
Schizophrenia	Decreased	Association	Human Blood	HMDB	25004141
Schizophrenia		Association	Human Blood	HMDB	23823132
Traumatic brain injury		Association	Human Cerebrospinal Fluid (CSF)	HMDB	11978879

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	353	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Chicken	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	408	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	151	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human saliva; Human subgingival plaque	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	145	Human feces; Human appendix biopsy; Human ; Human stool; Human gastric fluid; Human saliva; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	21	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	6		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	25	Human feces; Human saliva	Unknown
Bacteria	nah	2
Bacteria	Cyanobacteria	8
Viruses/Bamfordvirae	Nucleocytoviricota	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Laminaria	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Animal		Rhodophyta	FooDB	31437929
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Animal		Saccharina japonica	FooDB	31437929
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant	Plant	Solanum tuberosum	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant			FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant	Seed	Arachis hypogaea	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant			FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant			FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant	Seed	Vigna mungo	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant			FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant	Bulb	Allium sativum l. var. sativum	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Glycine max	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant	Root	Phaseolus vulgaris	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Herb	Portulaca oleracea	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant			FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant	Bulb	Allium cepa	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant	Plant	Spinacia oleracea	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant	Seed	Nelumbo nucifera	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant			FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant	Sprout seedling	Vigna radiata	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	30.22	2.55			uM	Children (1-13 years old)	Not Specified	Canavan disease	HMDB	16139832
Human Urine	Detected and Quantified			27.984	40.674	umol/mmol creatinine	Adult (>18 years old)	Male	Glutathionuria	HMDB	238530
Human Blood	Detected and Quantified			4.555	7.809	uM	Adult (>18 years old)	Male	Glutathionuria	HMDB	238530
Human Cerebrospinal fluid (csf)	Detected and Quantified	2.58	1.2			uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	HMDB	12938853
Human Cerebrospinal fluid (csf)	Detected and Quantified	4.56	0.7			uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	HMDB	12938853
Human Blood	Detected and Quantified	3.03	0.149			uM	Adult (>18 years old)	Both	Schizophrenia	HMDB	25004141
Human Blood	Detected and Quantified	516.50	238.40			uM	Adult (>18 years old)	Both	Schizophrenia	HMDB	23823132
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.19	0.05			uM	Children (1-13 years old)	Not Specified	Brain injury	HMDB	11978879
Human Urine	Detected and Quantified	0.065				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15702405
Human Urine	Detected and Quantified			0.00976	0.0325	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	238530
Human Urine	Detected and Quantified	0.030		0.005	0.085	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Blood	Detected and Quantified			1.0738	1.725	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	238530
Human Cerebrospinal fluid (csf)	Detected and Quantified	1.2	0.16			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	11978879
Human Saliva	Detected and Quantified	1.35	0.40			uM	Adult (>18 years old)	Both	Normal	HMDB	14637266
Human Blood	Detected and Quantified	10.9	4.5			uM	Children (1-13 years old)	Male	Normal	HMDB	9554495
Human Blood	Detected and Quantified	12.00	3.00			uM	Adolescent (13-18 years old)	Male	Normal	HMDB	9554495
Human Blood	Detected and Quantified	12.5	5.2			uM	Infant (0-1 year old)	Male	Normal	HMDB	9554495
Human Blood	Detected and Quantified	12.8	4.6			uM	Adult (>18 years old)	Male	Normal	HMDB	9554495
Human Blood	Detected and Quantified	3.20	2.20			uM	Adolescent (13-18 years old)	Male	Normal	HMDB	10577998
Human Blood	Detected and Quantified	3.67	0.241			uM	Adult (>18 years old)	Both	Normal	HMDB	25004141
Human Cellular cytoplasm	Detected and Quantified	3210		1710	4710	uM	Adult (>18 years old)	Both	Normal	HMDB	15882454
Human Blood	Detected and Quantified	37.03	4.76			uM	Adult (>18 years old)	Both	Normal	HMDB	16139832
Human Blood	Detected and Quantified	4.35	2.10			uM	Adolescent (13-18 years old)	Male	Normal	HMDB	10577998
Human Blood	Detected and Quantified	800.50	201.73			uM	Adult (>18 years old)	Both	Normal	HMDB	23823132
Human Saliva	Detected and Quantified	7.47	6.00			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human All tissues	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000125

DrugBank ID

DB00143

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

124886

PDB ID

Not Available

ChEBI ID

16856

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Witschi A, Reddy S, Stofer B, Lauterburg BH: The systemic availability of oral glutathione. Eur J Clin Pharmacol. 1992;43(6):667-9. doi: 10.1007/BF02284971. [PubMed:1362956 ]
Yim CY, Hibbs JB Jr, McGregor JR, Galinsky RE, Samlowski WE: Use of N-acetyl cysteine to increase intracellular glutathione during the induction of antitumor responses by IL-2. J Immunol. 1994 Jun 15;152(12):5796-805. [PubMed:8207209 ]
Bayir H, Kagan VE, Tyurina YY, Tyurin V, Ruppel RA, Adelson PD, Graham SH, Janesko K, Clark RS, Kochanek PM: Assessment of antioxidant reserves and oxidative stress in cerebrospinal fluid after severe traumatic brain injury in infants and children. Pediatr Res. 2002 May;51(5):571-8. doi: 10.1203/00006450-200205000-00005. [PubMed:11978879 ]
Calabrese V, Scapagnini G, Ravagna A, Bella R, Butterfield DA, Calvani M, Pennisi G, Giuffrida Stella AM: Disruption of thiol homeostasis and nitrosative stress in the cerebrospinal fluid of patients with active multiple sclerosis: evidence for a protective role of acetylcarnitine. Neurochem Res. 2003 Sep;28(9):1321-8. doi: 10.1023/a:1024984013069. [PubMed:12938853 ]
Wu G, Fang YZ, Yang S, Lupton JR, Turner ND: Glutathione metabolism and its implications for health. J Nutr. 2004 Mar;134(3):489-92. doi: 10.1093/jn/134.3.489. [PubMed:14988435 ]
Iida M, Yasuhara T, Mochizuki H, Takakura H, Yanagisawa T, Kubo H: Two Japanese brothers with hereditary gamma-glutamyl transpeptidase deficiency. J Inherit Metab Dis. 2005;28(1):49-55. doi: 10.1007/s10545-005-4417-8. [PubMed:15702405 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. doi: 10.1186/1742-4682-2-18. [PubMed:15882454 ]
Struzynska L, Chalimoniuk M, Sulkowski G: The role of astroglia in Pb-exposed adult rat brain with respect to glutamate toxicity. Toxicology. 2005 Sep 1;212(2-3):185-94. doi: 10.1016/j.tox.2005.04.013. [PubMed:15955607 ]
Grattagliano I, Portincasa P, Palmieri VO, Palasciano G: Contribution of canalicular glutathione efflux to bile formation. From cholestasis associated alterations to pharmacological intervention to modify bile flow. Curr Drug Targets Immune Endocr Metabol Disord. 2005 Jun;5(2):153-61. doi: 10.2174/1568008054064931. [PubMed:16089347 ]
Oztezcan S, Balkan J, Dogru-Abbasoglu S, Cevikbas U, Aykac-Toker G, Uysal M: Resistance of erythrocytes to lipid peroxidation in cirrhotic rats. Arch Med Res. 2005 Sep-Oct;36(5):459-63. doi: 10.1016/j.arcmed.2005.03.044. [PubMed:16099321 ]
Tsai CC, Chen HS, Chen SL, Ho YP, Ho KY, Wu YM, Hung CC: Lipid peroxidation: a possible role in the induction and progression of chronic periodontitis. J Periodontal Res. 2005 Oct;40(5):378-84. doi: 10.1111/j.1600-0765.2005.00818.x. [PubMed:16105090 ]
Kaynar H, Meral M, Turhan H, Keles M, Celik G, Akcay F: Glutathione peroxidase, glutathione-S-transferase, catalase, xanthine oxidase, Cu-Zn superoxide dismutase activities, total glutathione, nitric oxide, and malondialdehyde levels in erythrocytes of patients with small cell and non-small cell lung cancer. Cancer Lett. 2005 Sep 28;227(2):133-9. doi: 10.1016/j.canlet.2004.12.005. Epub 2005 Jan 8. [PubMed:16112416 ]
Hung CR: Effect of lysozyme chloride on betel quid chewing aggravated gastric oxidative stress and hemorrhagic ulcer in diabetic rats. World J Gastroenterol. 2005 Oct 7;11(37):5853-8. doi: 10.3748/wjg.v11.i37.5853. [PubMed:16270397 ]
Sohlenius-Sternbeck AK, Schmidt S: Impaired glutathione-conjugating capacity by cryopreserved human and rat hepatocytes. Xenobiotica. 2005 Jul;35(7):727-36. doi: 10.1080/00498250500183132. [PubMed:16316931 ]
Kawakami Y, Monobe M, Kuwabara K, Fujita T, Maeda M, Fujino O, Kojima S, Fukunaga Y: A comparative study of nitric oxide, glutathione, and glutathione peroxidase activities in cerebrospinal fluid from children with convulsive diseases/children with aseptic meningitis. Brain Dev. 2006 May;28(4):243-6. doi: 10.1016/j.braindev.2005.08.010. Epub 2006 Jan 10. [PubMed:16376049 ]
Czeczot H, Scibior D, Skrzycki M, Podsiad M: [Antioxidant barrier in patients with gastric cancer--preliminary study]. Pol Merkur Lekarski. 2005 Oct;19(112):521-5. [PubMed:16379316 ]
Schulpis KH, Papassotiriou I, Parthimos T, Tsakiris T, Tsakiris S: The effect of L-cysteine and glutathione on inhibition of Na+, K+-ATPase activity by aspartame metabolites in human erythrocyte membrane. Eur J Clin Nutr. 2006 May;60(5):593-7. doi: 10.1038/sj.ejcn.1602355. [PubMed:16391576 ]
Czeczot H, Scibior D, Skrzycki M, Podsiad M: Glutathione and GSH-dependent enzymes in patients with liver cirrhosis and hepatocellular carcinoma. Acta Biochim Pol. 2006;53(1):237-42. Epub 2006 Jan 9. [PubMed:16404476 ]
Drevet JR: The antioxidant glutathione peroxidase family and spermatozoa: a complex story. Mol Cell Endocrinol. 2006 May 16;250(1-2):70-9. doi: 10.1016/j.mce.2005.12.027. Epub 2006 Jan 19. [PubMed:16427183 ]
Zamek-Gliszczynski MJ, Hoffmaster KA, Nezasa K, Tallman MN, Brouwer KL: Integration of hepatic drug transporters and phase II metabolizing enzymes: mechanisms of hepatic excretion of sulfate, glucuronide, and glutathione metabolites. Eur J Pharm Sci. 2006 Apr;27(5):447-86. doi: 10.1016/j.ejps.2005.12.007. Epub 2006 Feb 10. [PubMed:16472997 ]
Iwasaki Y, Hoshi M, Ito R, Saito K, Nakazawa H: Analysis of glutathione and glutathione disulfide in human saliva using hydrophilic interaction chromatography with mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Jul 24;839(1-2):74-9. doi: 10.1016/j.jchromb.2006.03.033. Epub 2006 Apr 18. [PubMed:16621738 ]
Calvo-Marzal P, Chumbimuni-Torres KY, Hoehr NF, Kubota LT: Determination of glutathione in hemolysed erythrocyte with amperometric sensor based on TTF-TCNQ. Clin Chim Acta. 2006 Sep;371(1-2):152-8. doi: 10.1016/j.cca.2006.03.006. Epub 2006 May 2. [PubMed:16650398 ]
Djurhuus R, Segadal K, Svardal AM: Glutathione in blood cells decreases without DNA breaks after a simulated saturation dive to 250 msw. Aviat Space Environ Med. 2006 Jun;77(6):597-604. [PubMed:16780237 ]
Wielandt AM, Vollrath V, Farias M, Chianale J: Bucillamine induces glutathione biosynthesis via activation of the transcription factor Nrf2. Biochem Pharmacol. 2006 Aug 14;72(4):455-62. doi: 10.1016/j.bcp.2006.05.011. Epub 2006 Jun 27. [PubMed:16806086 ]
Briz O, Romero MR, Martinez-Becerra P, Macias RI, Perez MJ, Jimenez F, San Martin FG, Marin JJ: OATP8/1B3-mediated cotransport of bile acids and glutathione: an export pathway for organic anions from hepatocytes? J Biol Chem. 2006 Oct 13;281(41):30326-35. doi: 10.1074/jbc.M602048200. Epub 2006 Jul 28. [PubMed:16877380 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Glutathione (MMDBc0029474)

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