MiMeDB: Showing metabocard for Glutathione disulfide (MMDBc0030315)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:03:05 UTC

Update Date

2022-08-31 17:43:38 UTC

Metabolite ID

MMDBc0030315

Metabolite Identification

Common Name

Glutathione disulfide

Description

Glutathione (GSH) is a tripeptide with a gamma peptide linkage between the amine group of cysteine (which is attached by normal peptide linkage to a glycine) and the carboxyl group of the glutamate side-chain. It is an antioxidant, preventing damage to important cellular components caused by reactive oxygen species such as free radicals and peroxides. Glutathione is a cofactor for the enzyme glutathione peroxidase. Glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase (EC 3.1.2.6) catalyzes the hydrolysis of S-D-Lactoyl-glutathione to glutathione and D-lactate.; Glutathione disulfide (GSSG) is a disulfide derived from two glutathione molecules.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304202019312D          

 40 39  0  0  0  0            999 V2000
   31.2667   -9.8280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -10.6530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102  -16.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9798   -8.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5536   -8.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9798  -12.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -16.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8392   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943  -11.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377  -13.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957   -7.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -13.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667   -8.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -12.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1233  -11.8906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102   -8.5905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088   -7.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102  -14.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957  -14.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -11.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812   -9.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -11.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1233   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -14.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1247   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088  -12.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -13.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957  -15.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8392   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943  -11.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377  -12.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -13.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 34  1  0  0  0  0
  4 33  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 34  2  0  0  0  0
  8 33  2  0  0  0  0
  9 35  2  0  0  0  0
 10 36  2  0  0  0  0
 11 38  2  0  0  0  0
 12 37  2  0  0  0  0
 13 40  2  0  0  0  0
 14 39  2  0  0  0  0
 15 23  1  0  0  0  0
 15 40  1  0  0  0  0
 16 24  1  0  0  0  0
 16 39  1  0  0  0  0
 17 30  1  0  0  0  0
 17 38  1  0  0  0  0
 18 29  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 34  1  0  0  0  0
 22 27  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 40  1  0  0  0  0
 32 39  1  0  0  0  0
M  END


  Mrv1652304202019312D          

 40 39  0  0  0  0            999 V2000
   31.2667   -9.8280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -10.6530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102  -16.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9798   -8.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5536   -8.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9798  -12.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -16.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8392   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943  -11.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377  -13.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957   -7.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523   -9.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -13.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667   -8.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -12.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1233  -11.8906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102   -8.5905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088   -7.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4102  -14.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957  -14.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -11.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812   -9.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523  -11.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1233   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -14.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1247   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4088  -12.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9812  -13.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957  -15.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8392   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6943  -11.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6957   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8377  -12.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2667  -13.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5523   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 34  1  0  0  0  0
  4 33  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 34  2  0  0  0  0
  8 33  2  0  0  0  0
  9 35  2  0  0  0  0
 10 36  2  0  0  0  0
 11 38  2  0  0  0  0
 12 37  2  0  0  0  0
 13 40  2  0  0  0  0
 14 39  2  0  0  0  0
 15 23  1  0  0  0  0
 15 40  1  0  0  0  0
 16 24  1  0  0  0  0
 16 39  1  0  0  0  0
 17 30  1  0  0  0  0
 17 38  1  0  0  0  0
 18 29  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 34  1  0  0  0  0
 22 27  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 40  1  0  0  0  0
 32 39  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030315

> <DATABASE_NAME>
MIME

> <SMILES>
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)

> <INCHI_KEY>
YPZRWBKMTBYPTK-UHFFFAOYSA-N

> <FORMULA>
C20H32N6O12S2

> <MOLECULAR_WEIGHT>
612.631

> <EXACT_MASS>
612.151961898

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
58.43401956406052

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid

> <ALOGPS_LOGP>
-3.60

> <JCHEM_LOGP>
-10.109054127323455

> <ALOGPS_LOGS>
-3.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.0279192452272095

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4383679148014101

> <JCHEM_PKA_STRONGEST_BASIC>
9.613061090727257

> <JCHEM_POLAR_SURFACE_AREA>
317.63999999999993

> <JCHEM_REFRACTIVITY>
136.65439999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxiglutatione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  S   UNK     0      58.365 -18.346   0.000  0.00  0.00           S+0
HETATM    2  S   UNK     0      58.365 -19.886   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0      62.366 -29.896   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      50.362 -15.266   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      66.367 -15.266   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      50.362 -22.966   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      59.698 -29.896   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      51.696 -17.576   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      65.033 -17.576   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      51.696 -20.656   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      55.697 -24.506   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      61.032 -13.726   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      57.031 -17.576   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      57.031 -25.276   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      58.365 -15.266   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      58.365 -22.966   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      54.363 -22.196   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      62.366 -16.036   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      53.030 -13.726   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      62.366 -26.816   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      61.032 -27.586   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      53.030 -15.266   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      59.698 -16.036   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      57.031 -22.196   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      59.698 -17.576   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      57.031 -20.656   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      54.363 -16.036   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      59.698 -26.816   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      63.699 -15.266   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      53.030 -22.966   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      55.697 -15.266   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      59.698 -25.276   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      51.696 -16.036   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      61.032 -29.126   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      65.033 -16.036   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      51.696 -22.196   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      61.032 -15.266   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      55.697 -22.966   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      58.365 -24.506   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      57.031 -16.036   0.000  0.00  0.00           C+0
CONECT    1    2   25                                                       
CONECT    2    1   26                                                       
CONECT    3   34                                                            
CONECT    4   33                                                            
CONECT    5   35                                                            
CONECT    6   36                                                            
CONECT    7   34                                                            
CONECT    8   33                                                            
CONECT    9   35                                                            
CONECT   10   36                                                            
CONECT   11   38                                                            
CONECT   12   37                                                            
CONECT   13   40                                                            
CONECT   14   39                                                            
CONECT   15   23   40                                                       
CONECT   16   24   39                                                       
CONECT   17   30   38                                                       
CONECT   18   29   37                                                       
CONECT   19   22                                                            
CONECT   20   21                                                            
CONECT   21   20   28   34                                                  
CONECT   22   19   27   33                                                  
CONECT   23   15   25   37                                                  
CONECT   24   16   26   38                                                  
CONECT   25    1   23                                                       
CONECT   26    2   24                                                       
CONECT   27   22   31                                                       
CONECT   28   21   32                                                       
CONECT   29   18   35                                                       
CONECT   30   17   36                                                       
CONECT   31   27   40                                                       
CONECT   32   28   39                                                       
CONECT   33    4    8   22                                                  
CONECT   34    3    7   21                                                  
CONECT   35    5    9   29                                                  
CONECT   36    6   10   30                                                  
CONECT   37   12   18   23                                                  
CONECT   38   11   17   24                                                  
CONECT   39   14   16   32                                                  
CONECT   40   13   15   31                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

Synonyms

Value	Source
(2S)-2-Azaniumyl-4-{[(1R)-2-{[(2R)-2-[(4S)-4-azaniumyl-4-carboxylatobutanamido]-2-[(carboxylatomethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxylatomethyl)carbamoyl]ethyl]carbamoyl}butanoate	HMDB
Glutathione disulfide	HMDB
GSSG	HMDB
L(-)-Glutathione(oxidized)	HMDB
Oxiglutatione	HMDB

Molecular Formula

C₂₀H₃₂N₆O₁₂S₂

Average Mass

612.631

Monoisotopic Mass

612.151961898

IUPAC Name

2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid

Traditional Name

oxiglutatione

CAS Registry Number

27025-41-8

SMILES

NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)

InChI Key

YPZRWBKMTBYPTK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Gamma-glutamyl alpha peptide
Glutamine or derivatives
N-acyl-alpha-amino acid
Tetracarboxylic acid or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Amino acid or derivatives
Carboxamide group
Amino acid
Dialkyldisulfide
Secondary carboxylic acid amide
Organic disulfide
Sulfenyl compound
Carboxylic acid
Organopnictogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.41 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-10	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	1.44	ChemAxon
pKa (Strongest Basic)	9.61	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	317.64 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	136.65 m³·mol⁻¹	ChemAxon
Polarizability	58.43 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank
Arsenate Detoxification

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0024613	Glutathione	Glutathione disulfide	Probable phospholipid hydroperoxide glutathione peroxidase	Oxidation	RHEA	34755880
MMDBr0025789	Glutathione	Glutathione disulfide	Peroxiredoxin		RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	5	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human subgingival plaque	Unknown
Eukaryota/Fungi	Ascomycota	8
Bacteria	nah	1
Bacteria/Eubacteria	Cyanobacteria	1
Bacteria/Eubacteria	Firmicutes	4	Human ; Human feces; Human saliva
Bacteria	Proteobacteria	3	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human subgingival plaque	Unknown
Viruses/Bamfordvirae	Nucleocytoviricota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0003337

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023147

KNApSAcK ID

Not Available

Chemspider ID

950

KEGG Compound ID

C00127

BioCyc ID

Not Available

BiGG ID

33951

Wikipedia Link

Glutathione disulfide

METLIN ID

6893

PubChem Compound

975

PDB ID

Not Available

ChEBI ID

17858

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Glutathione disulfide (MMDBc0030315)

MOL for #<Metabolite:0x00007f9250584848>

3D MOL for #<Metabolite:0x00007f9250584848>

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Structure for #<Metabolite:0x00007f9250584848>

3D Structure for #<Metabolite:0x00007f9250584848>