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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (14) Show 14 proteins XML

enzymes (14) Show 14 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-12 19:06:03 UTC

Update Date

2021-10-13 04:41:16 UTC

HMDB ID

HMDB0003337

Secondary Accession Numbers

HMDB03337

Metabolite Identification

Common Name

Oxidized glutathione

Description

Oxidized glutathione, also known as glutathione disulfide or GSSG, 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 the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. In humans, oxidized glutathione is involved in the metabolic disorder called leukotriene C4 synthesis deficiency pathway. Outside of the human body, oxidized glutathione has been detected, but not quantified in several different foods, such as leeks, star anises, mamey sapotes, climbing beans, and common persimmons. Oxidized glutathione is a glutathione dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. Glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. 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 I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione into S-D-lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-lactoyl-glutathione into glutathione and D-lactate.

Structure

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


  Mrv1652304292016582D          

 40 39  0  0  1  0            999 V2000
    6.9943   -5.1415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -4.3081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -7.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5798   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6233   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3352   -2.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534   -2.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403   -6.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -6.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -2.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -6.4351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -3.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -1.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553   -7.6852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7495   -6.4351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7062   -3.0492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4528   -6.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7495   -5.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -3.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791   -6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5358   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8766   -6.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8766   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -2.6325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1553   -6.8517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5798   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6233   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   -6.4351    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 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 27  2  0  0  0  0
  6 28  2  0  0  0  0
  7 37  2  0  0  0  0
  8 37  1  0  0  0  0
  9 38  2  0  0  0  0
 10 38  1  0  0  0  0
 11 39  2  0  0  0  0
 12 39  1  0  0  0  0
 13 40  2  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 27  1  0  0  0  0
 16 22  1  0  0  0  0
 16 28  1  0  0  0  0
 17 23  1  0  0  0  0
 17 31  1  0  0  0  0
 18 24  1  0  0  0  0
 18 32  1  0  0  0  0
 35 19  1  1  0  0  0
 36 20  1  6  0  0  0
 21 23  1  0  0  0  0
 21 25  1  1  0  0  0
 22 24  1  0  0  0  0
 22 26  1  6  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END

HMDB0003337
     RDKit          3D
Oxidized glutathione
 72 71  0  0  0  0  0  0  0  0999 V2000
    6.7317    0.4869   -1.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7554   -0.2561   -0.6242 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5060   -1.7103   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661   -2.0747    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285   -1.6544    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -1.2727   -1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -1.6699    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -1.2400    0.5292 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6623   -2.2523    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -2.2461    0.9323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -0.4393    1.4160 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    0.5511   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    0.3443   -0.8246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7358    0.7214   -0.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624    1.5512   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.9923   -1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9306    1.9064   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7516    2.8130   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0481    3.1200   -0.2319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7496    3.7572    1.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7904    1.8401    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1128    1.1483   -0.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1142    1.4268    1.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7675   -1.0566   -1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9853   -1.3185   -2.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7984   -2.1213   -0.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -3.4826   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0592   -4.4266    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755   -3.9467    1.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -5.7807    0.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.0488    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.0238    2.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    1.2295    0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    2.3457    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9597    2.6664    2.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    2.1233    1.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.5730    3.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0720   -0.0977   -1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    0.5110   -2.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562   -0.7001   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    1.3756   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740    0.4279   -2.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8806    0.2064    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4299   -2.2984   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829   -2.1079    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3956   -3.2246    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -1.7440    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -1.9683    1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -1.1219   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -3.2600    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -2.1871    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358    1.6241    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981    0.2983   -0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546    0.9715   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.3728    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5993    2.4486    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5191    1.0212    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9109    2.4092   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1614    3.7568   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6966    3.7800   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0541    4.5141    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3744    3.0205    1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6384    0.5915    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -1.9719    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -3.8497   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528   -3.5269   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669   -6.4108    0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    1.4006   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    2.0125    2.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    3.2538    1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721    4.2712    3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3349   -0.5195    0.3487 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
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
  8 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  2 38  1  0
 38 39  2  0
 38 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  1
  3 44  1  0
  3 45  1  0
  4 46  1  0
  4 47  1  0
  7 48  1  0
  8 49  1  6
  9 50  1  0
  9 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  6
 14 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  6
 20 61  1  0
 20 62  1  0
 23 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 30 67  1  0
 33 68  1  0
 34 69  1  0
 34 70  1  0
 37 71  1  0
 40 72  1  0
M  END


  Mrv1652304292016582D          

 40 39  0  0  1  0            999 V2000
    6.9943   -5.1415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -4.3081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -7.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5798   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6233   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3352   -2.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -3.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534   -2.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   -5.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403   -6.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -6.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -2.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -6.4351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -3.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -1.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553   -7.6852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7495   -6.4351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7062   -3.0492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4528   -6.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7495   -5.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -3.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791   -6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5358   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8766   -6.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8766   -2.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -2.6325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1553   -6.8517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5798   -6.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6233   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3653   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   -6.4351    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 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 27  2  0  0  0  0
  6 28  2  0  0  0  0
  7 37  2  0  0  0  0
  8 37  1  0  0  0  0
  9 38  2  0  0  0  0
 10 38  1  0  0  0  0
 11 39  2  0  0  0  0
 12 39  1  0  0  0  0
 13 40  2  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 27  1  0  0  0  0
 16 22  1  0  0  0  0
 16 28  1  0  0  0  0
 17 23  1  0  0  0  0
 17 31  1  0  0  0  0
 18 24  1  0  0  0  0
 18 32  1  0  0  0  0
 35 19  1  1  0  0  0
 36 20  1  6  0  0  0
 21 23  1  0  0  0  0
 21 25  1  1  0  0  0
 22 24  1  0  0  0  0
 22 26  1  6  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003337

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](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)/t9-,10-,11-,12-/m0/s1

> <INCHI_KEY>
YPZRWBKMTBYPTK-BJDJZHNGSA-N

> <FORMULA>
C20H32N6O12S2

> <MOLECULAR_WEIGHT>
612.631

> <EXACT_MASS>
612.151961898

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
58.46704569941549

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(1R)-2-{[(2R)-2-[(4S)-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>
317.64000000000004

> <JCHEM_REFRACTIVITY>
136.65439999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glutathione disulfide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003337
     RDKit          3D
Oxidized glutathione
 72 71  0  0  0  0  0  0  0  0999 V2000
    6.7317    0.4869   -1.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7554   -0.2561   -0.6242 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5060   -1.7103   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661   -2.0747    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285   -1.6544    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -1.2727   -1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -1.6699    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -1.2400    0.5292 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6623   -2.2523    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -2.2461    0.9323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -0.4393    1.4160 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    0.5511   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    0.3443   -0.8246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7358    0.7214   -0.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624    1.5512   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.9923   -1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9306    1.9064   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7516    2.8130   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0481    3.1200   -0.2319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7496    3.7572    1.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7904    1.8401    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1128    1.1483   -0.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1142    1.4268    1.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7675   -1.0566   -1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9853   -1.3185   -2.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7984   -2.1213   -0.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -3.4826   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0592   -4.4266    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755   -3.9467    1.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -5.7807    0.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.0488    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.0238    2.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    1.2295    0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    2.3457    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9597    2.6664    2.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    2.1233    1.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.5730    3.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0720   -0.0977   -1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    0.5110   -2.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562   -0.7001   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    1.3756   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740    0.4279   -2.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8806    0.2064    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4299   -2.2984   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829   -2.1079    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3956   -3.2246    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -1.7440    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -1.9683    1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -1.1219   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -3.2600    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -2.1871    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358    1.6241    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981    0.2983   -0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546    0.9715   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.3728    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5993    2.4486    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5191    1.0212    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9109    2.4092   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1614    3.7568   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6966    3.7800   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0541    4.5141    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3744    3.0205    1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6384    0.5915    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -1.9719    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -3.8497   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528   -3.5269   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669   -6.4108    0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    1.4006   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    2.0125    2.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    3.2538    1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721    4.2712    3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3349   -0.5195    0.3487 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
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
  8 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  2 38  1  0
 38 39  2  0
 38 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  1
  3 44  1  0
  3 45  1  0
  4 46  1  0
  4 47  1  0
  7 48  1  0
  8 49  1  6
  9 50  1  0
  9 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  6
 14 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  6
 20 61  1  0
 20 62  1  0
 23 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 30 67  1  0
 33 68  1  0
 34 69  1  0
 34 70  1  0
 37 71  1  0
 40 72  1  0
M  END

HEADER    PROTEIN                                 29-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-20         0                                  
HETATM    1  S   UNK     0      13.056  -9.597   0.000  0.00  0.00           S+0
HETATM    2  S   UNK     0      13.056  -8.042   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0      15.778 -14.346   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      15.778  -3.358   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      11.727 -10.375   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      11.727  -7.248   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      19.749 -10.375   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      21.078 -12.709   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      19.830  -7.248   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      21.159  -4.914   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       6.282  -7.248   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.953  -4.914   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       6.428 -10.375   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.115 -12.709   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      13.056 -12.790   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      13.056  -4.914   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      17.108 -12.012   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      17.108  -5.692   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       7.595  -3.358   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       7.757 -14.346   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      14.466 -12.012   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.385  -5.692   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.778 -12.709   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.778  -4.914   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.466 -10.456   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.385  -7.248   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.727 -12.012   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.727  -5.692   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.414 -12.790   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.333  -4.914   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      18.436 -12.709   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.436  -4.914   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.004  -5.692   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.086 -12.012   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.595  -4.914   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.757 -12.790   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      19.749 -12.012   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      19.830  -5.692   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.282  -5.692   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.428 -12.012   0.000  0.00  0.00           C+0
CONECT    1    2   25                                                       
CONECT    2    1   26                                                       
CONECT    3   23                                                            
CONECT    4   24                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   37                                                            
CONECT    8   37                                                            
CONECT    9   38                                                            
CONECT   10   38                                                            
CONECT   11   39                                                            
CONECT   12   39                                                            
CONECT   13   40                                                            
CONECT   14   40                                                            
CONECT   15   21   27                                                       
CONECT   16   22   28                                                       
CONECT   17   23   31                                                       
CONECT   18   24   32                                                       
CONECT   19   35                                                            
CONECT   20   36                                                            
CONECT   21   15   23   25                                                  
CONECT   22   16   24   26                                                  
CONECT   23    3   17   21                                                  
CONECT   24    4   18   22                                                  
CONECT   25    1   21                                                       
CONECT   26    2   22                                                       
CONECT   27    5   15   29                                                  
CONECT   28    6   16   30                                                  
CONECT   29   27   34                                                       
CONECT   30   28   33                                                       
CONECT   31   17   37                                                       
CONECT   32   18   38                                                       
CONECT   33   30   35                                                       
CONECT   34   29   36                                                       
CONECT   35   19   33   39                                                  
CONECT   36   20   34   40                                                  
CONECT   37    7    8   31                                                  
CONECT   38    9   10   32                                                  
CONECT   39   11   12   35                                                  
CONECT   40   13   14   36                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

COMPND    HMDB0003337
HETATM    1  N1  UNL     1       6.732   0.487  -1.253  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.755  -0.256  -0.624  1.00  0.00           C  
HETATM    3  C2  UNL     1       7.506  -1.710  -0.396  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.366  -2.075   0.466  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.029  -1.654   0.039  1.00  0.00           C  
HETATM    6  O1  UNL     1       4.836  -1.273  -1.141  1.00  0.00           O  
HETATM    7  N2  UNL     1       3.928  -1.670   0.968  1.00  0.00           N  
HETATM    8  C5  UNL     1       2.565  -1.240   0.529  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.662  -2.252   1.174  1.00  0.00           C  
HETATM   10  S1  UNL     1      -0.061  -2.246   0.932  1.00  0.00           S  
HETATM   11  S2  UNL     1      -1.070  -0.439   1.416  1.00  0.00           S  
HETATM   12  C7  UNL     1      -1.290   0.551  -0.057  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.506   0.344  -0.825  1.00  0.00           C  
HETATM   14  N3  UNL     1      -3.736   0.721  -0.158  1.00  0.00           N  
HETATM   15  C9  UNL     1      -4.662   1.551  -0.810  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.457   1.992  -1.963  1.00  0.00           O  
HETATM   17  C10 UNL     1      -5.931   1.906  -0.093  1.00  0.00           C  
HETATM   18  C11 UNL     1      -6.752   2.813  -0.948  1.00  0.00           C  
HETATM   19  C12 UNL     1      -8.048   3.120  -0.232  1.00  0.00           C  
HETATM   20  N4  UNL     1      -7.750   3.757   1.017  1.00  0.00           N  
HETATM   21  C13 UNL     1      -8.790   1.840   0.030  1.00  0.00           C  
HETATM   22  O3  UNL     1      -9.113   1.148  -0.974  1.00  0.00           O  
HETATM   23  O4  UNL     1      -9.114   1.427   1.308  1.00  0.00           O  
HETATM   24  C14 UNL     1      -2.767  -1.057  -1.286  1.00  0.00           C  
HETATM   25  O5  UNL     1      -2.985  -1.319  -2.495  1.00  0.00           O  
HETATM   26  N5  UNL     1      -2.798  -2.121  -0.369  1.00  0.00           N  
HETATM   27  C15 UNL     1      -3.034  -3.483  -0.802  1.00  0.00           C  
HETATM   28  C16 UNL     1      -3.059  -4.427   0.345  1.00  0.00           C  
HETATM   29  O6  UNL     1      -2.876  -3.947   1.498  1.00  0.00           O  
HETATM   30  O7  UNL     1      -3.269  -5.781   0.198  1.00  0.00           O  
HETATM   31  C17 UNL     1       2.308   0.049   1.255  1.00  0.00           C  
HETATM   32  O8  UNL     1       2.610   0.024   2.500  1.00  0.00           O  
HETATM   33  N6  UNL     1       1.797   1.230   0.723  1.00  0.00           N  
HETATM   34  C18 UNL     1       1.633   2.346   1.664  1.00  0.00           C  
HETATM   35  C19 UNL     1       2.960   2.666   2.215  1.00  0.00           C  
HETATM   36  O9  UNL     1       3.972   2.123   1.760  1.00  0.00           O  
HETATM   37  O10 UNL     1       3.046   3.573   3.236  1.00  0.00           O  
HETATM   38  C20 UNL     1       9.072  -0.098  -1.303  1.00  0.00           C  
HETATM   39  O11 UNL     1       9.247   0.511  -2.362  1.00  0.00           O  
HETATM   40  O12 UNL     1      10.156  -0.700  -0.642  1.00  0.00           O  
HETATM   41  H1  UNL     1       6.450   1.376  -0.835  1.00  0.00           H  
HETATM   42  H2  UNL     1       6.674   0.428  -2.289  1.00  0.00           H  
HETATM   43  H3  UNL     1       7.881   0.206   0.414  1.00  0.00           H  
HETATM   44  H4  UNL     1       7.430  -2.298  -1.361  1.00  0.00           H  
HETATM   45  H5  UNL     1       8.483  -2.108   0.038  1.00  0.00           H  
HETATM   46  H6  UNL     1       6.396  -3.225   0.527  1.00  0.00           H  
HETATM   47  H7  UNL     1       6.573  -1.744   1.508  1.00  0.00           H  
HETATM   48  H8  UNL     1       4.049  -1.968   1.932  1.00  0.00           H  
HETATM   49  H9  UNL     1       2.430  -1.122  -0.502  1.00  0.00           H  
HETATM   50  H10 UNL     1       2.149  -3.260   0.875  1.00  0.00           H  
HETATM   51  H11 UNL     1       1.949  -2.187   2.291  1.00  0.00           H  
HETATM   52  H12 UNL     1      -1.136   1.624   0.265  1.00  0.00           H  
HETATM   53  H13 UNL     1      -0.398   0.298  -0.736  1.00  0.00           H  
HETATM   54  H14 UNL     1      -2.455   0.972  -1.811  1.00  0.00           H  
HETATM   55  H15 UNL     1      -3.907   0.373   0.801  1.00  0.00           H  
HETATM   56  H16 UNL     1      -5.599   2.449   0.810  1.00  0.00           H  
HETATM   57  H17 UNL     1      -6.519   1.021   0.165  1.00  0.00           H  
HETATM   58  H18 UNL     1      -6.911   2.409  -1.972  1.00  0.00           H  
HETATM   59  H19 UNL     1      -6.161   3.757  -1.096  1.00  0.00           H  
HETATM   60  H20 UNL     1      -8.697   3.780  -0.891  1.00  0.00           H  
HETATM   61  H21 UNL     1      -7.054   4.514   0.920  1.00  0.00           H  
HETATM   62  H22 UNL     1      -7.374   3.020   1.649  1.00  0.00           H  
HETATM   63  H23 UNL     1      -9.638   0.592   1.443  1.00  0.00           H  
HETATM   64  H24 UNL     1      -2.729  -1.972   0.640  1.00  0.00           H  
HETATM   65  H25 UNL     1      -2.312  -3.850  -1.550  1.00  0.00           H  
HETATM   66  H26 UNL     1      -4.053  -3.527  -1.255  1.00  0.00           H  
HETATM   67  H27 UNL     1      -2.467  -6.411   0.188  1.00  0.00           H  
HETATM   68  H28 UNL     1       1.545   1.401  -0.261  1.00  0.00           H  
HETATM   69  H29 UNL     1       0.919   2.013   2.462  1.00  0.00           H  
HETATM   70  H30 UNL     1       1.265   3.254   1.163  1.00  0.00           H  
HETATM   71  H31 UNL     1       3.772   4.271   3.340  1.00  0.00           H  
HETATM   72  H32 UNL     1      10.335  -0.520   0.349  1.00  0.00           H  
CONECT    1    2   41   42
CONECT    2    3   38   43
CONECT    3    4   44   45
CONECT    4    5   46   47
CONECT    5    6    6    7
CONECT    7    8   48
CONECT    8    9   31   49
CONECT    9   10   50   51
CONECT   10   11
CONECT   11   12
CONECT   12   13   52   53
CONECT   13   14   24   54
CONECT   14   15   55
CONECT   15   16   16   17
CONECT   17   18   56   57
CONECT   18   19   58   59
CONECT   19   20   21   60
CONECT   20   61   62
CONECT   21   22   22   23
CONECT   23   63
CONECT   24   25   25   26
CONECT   26   27   64
CONECT   27   28   65   66
CONECT   28   29   29   30
CONECT   30   67
CONECT   31   32   32   33
CONECT   33   34   68
CONECT   34   35   69   70
CONECT   35   36   36   37
CONECT   37   71
CONECT   38   39   39   40
CONECT   40   72
END

HMDB0003337
     RDKit          3D
Oxidized glutathione
 72 71  0  0  0  0  0  0  0  0999 V2000
    6.7317    0.4869   -1.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7554   -0.2561   -0.6242 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5060   -1.7103   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661   -2.0747    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285   -1.6544    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -1.2727   -1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -1.6699    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -1.2400    0.5292 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6623   -2.2523    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -2.2461    0.9323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -0.4393    1.4160 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    0.5511   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    0.3443   -0.8246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7358    0.7214   -0.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624    1.5512   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.9923   -1.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9306    1.9064   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7516    2.8130   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0481    3.1200   -0.2319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7496    3.7572    1.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7904    1.8401    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1128    1.1483   -0.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1142    1.4268    1.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7675   -1.0566   -1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9853   -1.3185   -2.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7984   -2.1213   -0.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -3.4826   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0592   -4.4266    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755   -3.9467    1.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -5.7807    0.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.0488    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.0238    2.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    1.2295    0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    2.3457    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9597    2.6664    2.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    2.1233    1.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.5730    3.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0720   -0.0977   -1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    0.5110   -2.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562   -0.7001   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    1.3756   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740    0.4279   -2.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8806    0.2064    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4299   -2.2984   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829   -2.1079    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3956   -3.2246    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -1.7440    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -1.9683    1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303   -1.1219   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -3.2600    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -2.1871    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358    1.6241    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981    0.2983   -0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546    0.9715   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.3728    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5993    2.4486    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5191    1.0212    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9109    2.4092   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1614    3.7568   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6966    3.7800   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0541    4.5141    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3744    3.0205    1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6384    0.5915    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -1.9719    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -3.8497   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528   -3.5269   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669   -6.4108    0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    1.4006   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    2.0125    2.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654    3.2538    1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721    4.2712    3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3349   -0.5195    0.3487 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
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
  8 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  2 38  1  0
 38 39  2  0
 38 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  1
  3 44  1  0
  3 45  1  0
  4 46  1  0
  4 47  1  0
  7 48  1  0
  8 49  1  6
  9 50  1  0
  9 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  6
 14 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  6
 20 61  1  0
 20 62  1  0
 23 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 30 67  1  0
 33 68  1  0
 34 69  1  0
 34 70  1  0
 37 71  1  0
 40 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Glutathione disulphide	ChEBI
GSSG	ChEBI
Oxidised glutathione	ChEBI
OXIDIZED glutathione disulfide	ChEBI
Oxiglutatione	ChEBI
Glutathione	Kegg
Glutathione disulfide	Generator
OXIDIZED glutathione disulphide	Generator
Disulfide, glutathione	MeSH
Glutathione disulfide, ion(1-)	MeSH
Glutathione, oxidized	MeSH
Oxidized glutathione	ChEBI
Glutathione-S-S-glutathione	HMDB
Glutathione-SSG	HMDB
Oxidized L-glutathione	HMDB
Selenoglutathione	HMDB

Chemical Formula

C₂₀H₃₂N₆O₁₂S₂

Average Molecular Weight

612.631

Monoisotopic Molecular Weight

612.151961898

IUPAC Name

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

Traditional Name

glutathione disulfide

CAS Registry Number

27025-41-8

SMILES

N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](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)/t9-,10-,11-,12-/m0/s1

InChI Key

YPZRWBKMTBYPTK-BJDJZHNGSA-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
Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Amino acid or derivatives
Amino acid
Dialkyldisulfide
Organic disulfide
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Amine
Hydrocarbon derivative
Organic oxide
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Organopnictogen compound
Primary amine
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic disulfide (CHEBI:17858 )
glutathione derivative (CHEBI:17858 )

Ontology

Physiological effect

Adverse health effect

Psychiatric disorder

Schizophrenia

Nervous system disorder

Canavan disease

Genetic disorder

Inborn errors of metabolism

5-oxoprolinuria

Organic acidemia

Succinic semialdehyde dehydrogenase deficiency

Platelet

Tissue

Epithelium

Epidermis

Excreta

Urine

Cellular substructure

Macromolecular complex

Extracellular

Ingestion

Process

Naturally occurring process

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	300200 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.41 g/L	ALOGPS
logP	10^(-3.6) g/L	ALOGPS
logP	10^(-10) g/L	ChemAxon
logS	10^(-3.2) g/L	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	58.47 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

Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Oxidized glutathione	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O	5729.1	Standard polar	33892256
Oxidized glutathione	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O	3955.8	Standard non polar	33892256
Oxidized glutathione	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O	5923.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Oxidized glutathione,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5194.5	Semi standard non polar	33892256
Oxidized glutathione,1TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5229.1	Semi standard non polar	33892256
Oxidized glutathione,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5390.4	Semi standard non polar	33892256
Oxidized glutathione,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5253.0	Semi standard non polar	33892256
Oxidized glutathione,1TMS,isomer #5	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5298.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5077.2	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #10	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5098.2	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5258.5	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	5258.5	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #13	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5136.5	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #14	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5094.3	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #15	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5143.8	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #16	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5088.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5401.9	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #18	C[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C	5336.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	5245.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5083.1	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5243.8	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5295.2	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	5294.5	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #23	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O	5073.9	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #24	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5108.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #25	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5103.9	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #26	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5147.4	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	5083.0	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	5224.8	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5236.8	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C	5089.0	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O	5091.7	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O	5137.4	Semi standard non polar	33892256
Oxidized glutathione,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	5137.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	5009.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #10	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5031.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #11	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4986.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5151.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5138.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #14	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5013.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #15	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	4990.9	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #16	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C	5032.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #17	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4985.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5274.7	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5235.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	5133.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5114.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	5114.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	5162.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5161.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5234.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	5130.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5127.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5174.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	5174.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	4971.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4997.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	5013.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5017.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O	5018.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	5014.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	5054.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	5164.9	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #36	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5017.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #37	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	4992.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #38	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5297.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #39	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5239.3	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O	5036.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #40	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	5138.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5128.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #42	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5177.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #43	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	5185.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #44	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5239.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5130.4	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	5136.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #47	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	5185.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #48	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5177.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #49	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4982.3	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5013.9	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #50	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5024.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #51	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4994.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #52	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5012.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #53	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4959.7	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #54	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5003.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5360.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #56	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5257.9	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #57	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5302.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #58	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5212.7	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #59	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSSC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5201.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	5138.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #60	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5243.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #61	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5244.3	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #62	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	5108.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #63	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)O	5143.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5131.6	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #65	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	5133.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #66	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	5144.5	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	5184.2	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #68	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	4990.1	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #69	C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5032.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	5150.8	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	5014.0	Semi standard non polar	33892256
Oxidized glutathione,3TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	4989.6	Semi standard non polar	33892256
Oxidized glutathione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5458.0	Semi standard non polar	33892256
Oxidized glutathione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5497.4	Semi standard non polar	33892256
Oxidized glutathione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5624.1	Semi standard non polar	33892256
Oxidized glutathione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5500.1	Semi standard non polar	33892256
Oxidized glutathione,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5539.9	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O	5523.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5585.8	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	5688.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5688.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	5590.2	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5580.0	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5601.2	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	5574.5	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5793.3	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5757.6	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	5680.9	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O	5549.1	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	5682.1	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	5699.5	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	5699.2	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	5557.2	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5570.3	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	5555.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	5586.5	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	5549.2	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5638.1	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O	5651.7	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5545.6	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	5547.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	5569.4	Semi standard non polar	33892256
Oxidized glutathione,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	5569.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Oxidized glutathione GC-EI-TOF (Non-derivatized)	splash10-0a4i-0900000000-c8147955c6b355f0fc5c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Oxidized glutathione GC-EI-TOF (Non-derivatized)	splash10-0a4i-0910000000-3e6195d480fbfe87b449	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxidized glutathione GC-MS (TMS_2_18) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-ITFT , negative-QTOF	splash10-0uki-0290000000-04456f914411a2ecbe4f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-ITFT , negative-QTOF	splash10-0a4i-0039210000-772eee67ad10a2d98fa7	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QTOF , negative-QTOF	splash10-08fr-1957008000-f8812fd72d475ecd2693	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QQ , positive-QTOF	splash10-03di-0000109000-65d563bcfc551b4a7abd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QQ , positive-QTOF	splash10-03di-0003309000-7555effd0b74737b9d2f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QQ , positive-QTOF	splash10-0a4i-0259201000-2cd328143ce713c285d9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QQ , positive-QTOF	splash10-05d0-0493000000-93bd088394049a484b9d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QQ , positive-QTOF	splash10-001r-0190000000-88b871b5a3f668f4b3a1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-IT , positive-QTOF	splash10-0a59-0019811000-b24651cf6fc55de750b8	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-ITFT , positive-QTOF	splash10-053s-0495300000-69ab8e397b7a546ecd3f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-ITFT , positive-QTOF	splash10-053r-0007920000-39da34018ceb610daa32	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QTOF , positive-QTOF	splash10-03di-0000009000-9cde769e8905f413f7e3	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione LC-ESI-QTOF , positive-QTOF	splash10-03di-0000009000-4e3c9569882ab5507bf2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 35V, Positive-QTOF	splash10-0bu0-0269627000-563a5642bd80b3ade7e7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 30V, Positive-QTOF	splash10-03di-0000009000-5a6c9f84f565fed51304	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 35V, Negative-QTOF	splash10-03di-0013009000-1867be9890f3ad9e8724	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 10V, Negative-QTOF	splash10-03dl-0401019000-48fe7693149301cc4d47	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 40V, Negative-QTOF	splash10-0a4l-8901000000-69744ab568a68f43a5da	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Oxidized glutathione 20V, Negative-QTOF	splash10-0btc-5739216000-b6e7a7ac62adb85e909e	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 10V, Positive-QTOF	splash10-0292-1000291000-9683d81eec1eab3f9883	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 20V, Positive-QTOF	splash10-01u0-8214980000-1738ea6e3b4537936eee	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 40V, Positive-QTOF	splash10-057i-9534520000-7ef32e723a98599c32d7	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 10V, Negative-QTOF	splash10-03di-0147096000-e516803ef5124daee1a7	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 20V, Negative-QTOF	splash10-0a4l-2497151000-ef5ab8f9bbe20555f37c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxidized glutathione 40V, Negative-QTOF	splash10-006y-9411230000-cc41719d1e717d214643	2015-09-15	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Mitochondria

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Saliva
Urine

Tissue Locations

Brain
Epidermis
Erythrocyte
Fibroblasts
Leukocyte
Liver
Pancreas
Placenta
Platelet

Pathways

Name	SMPDB/PathBank	KEGG
Glutamate Metabolism
Glutathione metabolism	Not Available
Glutathione Synthetase Deficiency		Not Available
5-Oxoprolinuria		Not Available
Gamma-Glutamyltransferase Deficiency		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	19.96 +/- 24.82 uM	Adult (>18 years old)	Both	Normal	23823132	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	1.69 +/- 0.38 uM	Adult (>18 years old)	Both	Normal	16139832	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.041 +/- 0.01 uM	Adult (>18 years old)	Not Specified	Normal	12938853	details
Saliva	Detected and Quantified	0.88 +/- 0.43 uM	Adult (>18 years old)	Female	Normal	23857558	details
Saliva	Detected and Quantified	0.0156 +/- 0.0359 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.207 +/- 0.264 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.216 +/- 0.250 uM	Adult (>18 years old)	Both	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.249 +/- 0.397 uM	Adult (>18 years old)	Both	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.349 +/- 0.436 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.350 +/- 1.05 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.350 +/- 1.05 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	27.94 +/- 23.19 uM	Adult (>18 years old)	Both	Schizophrenia	23823132	details
Blood	Detected and Quantified	1.98 +/- 0.41 uM	Adult (>18 years old)	Both	Canavan disease	16139832	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.065 +/- 0.01 uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	12938853	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.044 +/- 0.01 uM	Adult (>18 years old)	Not Specified	Multiple sclerosis	12938853	details
Saliva	Detected and Quantified	0.39 +/- 0.18 uM	Adult (>18 years old)	Male	Alzheimer's disease	23857558	details
Saliva	Detected and Quantified	0.58 +/- 0.47 uM	Adult (>18 years old)	Male	Frontotemporal lobe dementia	23857558	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Attachment loss	31026179	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Periodontal Probing Depth	31026179	details
Saliva	Detected and Quantified	0.434 +/- 0.405 uM	Adult (>18 years old)	Both	Temporomandibular joint disorder (TMD)	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.441 +/- 0.403 uM	Adult (>18 years old)	Both	Dental caries	Sugimoto et al. (...	details
Saliva	Detected and Quantified	2.91 +/- 4.90 uM	Adult (>18 years old)	Both	Lewy body disease	23857558	details

Associated Disorders and Diseases

Disease References

Canavan disease
Tavazzi B, Lazzarino G, Leone P, Amorini AM, Bellia F, Janson CG, Di Pietro V, Ceccarelli L, Donzelli S, Francis JS, Giardina B: Simultaneous high performance liquid chromatographic separation of purines, pyrimidines, N-acetylated amino acids, and dicarboxylic acids for the chemical diagnosis of inborn errors of metabolism. Clin Biochem. 2005 Nov;38(11):997-1008. Epub 2005 Sep 1. [PubMed:16139832 ]
Schizophrenia
Ballesteros A, Summerfelt A, Du X, Jiang P, Chiappelli J, Tagamets M, O'Donnell P, Kochunov P, Hong LE: Electrophysiological intermediate biomarkers for oxidative stress in schizophrenia. Clin Neurophysiol. 2013 Nov;124(11):2209-15. doi: 10.1016/j.clinph.2013.05.021. Epub 2013 Jun 30. [PubMed:23823132 ]
Multiple sclerosis
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. [PubMed:12938853 ]
Alzheimer's disease
Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Frontotemporal dementia
Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Temporomandibular joint disorder
(). Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles. . .
Attachment loss
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Periodontal Probing Depth
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]

Associated OMIM IDs

271900 (Canavan disease)
181500 (Schizophrenia)
126200 (Multiple sclerosis)
104300 (Alzheimer's disease)
600274 (Frontotemporal dementia)

External Links

DrugBank ID

DB03310

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023147

KNApSAcK ID

Not Available

Chemspider ID

58835

KEGG Compound ID

C00127

BioCyc ID

OXIDIZED-GLUTATHIONE

BiGG ID

Not Available

Wikipedia Link

Glutathione disulfide

METLIN ID

Not Available

PubChem Compound

65359

PDB ID

Not Available

ChEBI ID

17858

Food Biomarker Ontology

Not Available

VMH ID

GTHOX

MarkerDB ID

MDB00000421

Good Scents ID

rw1736991

References

Synthesis Reference

Saito, Susumu; Nishijima, Kunihide; Kataoka, Katsuyuki; Aoyanagi, Yoshinori; Fukuda, Yoji; Ito, Homare. Manufacture of oxidized glutathione from reduced glutathione with ascorbic acid and ascorbate oxidase. Jpn. Kokai Tokkyo Koho (1995), 4 pp.

Material Safety Data Sheet (MSDS)

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General References

Kondo T, Ohtsuka Y, Shimada M, Kawakami Y, Hiyoshi Y, Tsuji Y, Fujii H, Miwa S: Erythrocyte-oxidized glutathione transport in pyrimidine 5'-nucleotidase deficiency. Am J Hematol. 1987 Sep;26(1):37-45. [PubMed:2888306 ]
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. [PubMed:12938853 ]
Tauler P, Sureda A, Cases N, Aguilo A, Rodriguez-Marroyo JA, Villa G, Tur JA, Pons A: Increased lymphocyte antioxidant defences in response to exhaustive exercise do not prevent oxidative damage. J Nutr Biochem. 2006 Oct;17(10):665-71. Epub 2005 Nov 28. [PubMed:16481153 ]
Slivka A, Spina MB, Cohen G: Reduced and oxidized glutathione in human and monkey brain. Neurosci Lett. 1987 Feb 10;74(1):112-8. [PubMed:3561870 ]
Aukrust P, Svardal AM, Muller F, Lunden B, Berge RK, Ueland PM, Froland SS: Increased levels of oxidized glutathione in CD4+ lymphocytes associated with disturbed intracellular redox balance in human immunodeficiency virus type 1 infection. Blood. 1995 Jul 1;86(1):258-67. [PubMed:7795231 ]
Sakhi AK, Russnes KM, Smeland S, Blomhoff R, Gundersen TE: Simultaneous quantification of reduced and oxidized glutathione in plasma using a two-dimensional chromatographic system with parallel porous graphitized carbon columns coupled with fluorescence and coulometric electrochemical detection. J Chromatogr A. 2006 Feb 3;1104(1-2):179-89. [PubMed:16376913 ]
Glazyrin AL, Kolesnikov SI, Safronov AYu: Histochemical localization of oxidized glutathione-catalysing enzymes in human term placenta. Histochem J. 1993 Jan;25(1):45-50. [PubMed:8432663 ]
Carru C, Zinellu A, Pes GM, Marongiu G, Tadolini B, Deiana L: Ultrarapid capillary electrophoresis method for the determination of reduced and oxidized glutathione in red blood cells. Electrophoresis. 2002 Jun;23(11):1716-21. [PubMed:12179993 ]
Tohgi H, Abe T, Saheki M, Hamato F, Sasaki K, Takahashi S: Reduced and oxidized forms of glutathione and alpha-tocopherol in the cerebrospinal fluid of parkinsonian patients: comparison between before and after L-dopa treatment. Neurosci Lett. 1995 Jan 16;184(1):21-4. [PubMed:7739798 ]
Yoshida T: Determination of reduced and oxidized glutathione in erythrocytes by high-performance liquid chromatography with ultraviolet absorbance detection. J Chromatogr B Biomed Appl. 1996 Apr 12;678(2):157-64. [PubMed:8738017 ]
Sofic E, Lange KW, Jellinger K, Riederer P: Reduced and oxidized glutathione in the substantia nigra of patients with Parkinson's disease. Neurosci Lett. 1992 Aug 17;142(2):128-30. [PubMed:1454205 ]
Muda P, Kampus P, Zilmer M, Zilmer K, Kairane C, Ristimae T, Fischer K, Teesalu R: Homocysteine and red blood cell glutathione as indices for middle-aged untreated essential hypertension patients. J Hypertens. 2003 Dec;21(12):2329-33. [PubMed:14654754 ]
Satoh T, Yoshioka Y: Contribution of reduced and oxidized glutathione to signals detected by magnetic resonance spectroscopy as indicators of local brain redox state. Neurosci Res. 2006 May;55(1):34-9. Epub 2006 Feb 24. [PubMed:16503064 ]
Srivastava SK, Beutler E: Oxidized glutathione levels in erythrocytes of glucose-6-phosphate-dehydrogenase-deficient subjects. Lancet. 1968 Jul 6;2(7558):23-4. [PubMed:4172687 ]
Board P, Nishida T, Gatmaitan Z, Che M, Arias IM: Erythrocyte membrane transport of glutathione conjugates and oxidized glutathione in the Dubin-Johnson syndrome and in rats with hereditary hyperbilirubinemia. Hepatology. 1992 Apr;15(4):722-5. [PubMed:1551648 ]
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 ]

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Glutathione reductase, mitochondrial

General function:: Involved in oxidoreductase activity
Specific function:: Maintains high levels of reduced glutathione in the cytosol.
Gene Name:: GSR
Uniprot ID:: P00390
Molecular weight:: 56256.565

Reactions

Glutathione + NADP → Oxidized glutathione + NADPH	details
Glutathione + NAD → Oxidized glutathione + NADH + Hydrogen Ion	details
Glutathione + NADP → Oxidized glutathione + NADPH + Hydrogen Ion	details

Enzyme Details

2. Peroxiredoxin-6

General function:: Involved in antioxidant activity
Specific function:: Involved in redox regulation of the cell. Can reduce H(2)O(2) and short chain organic, fatty acid, and phospholipid hydroperoxides. May play a role in the regulation of phospholipid turnover as well as in protection against oxidative injury.
Gene Name:: PRDX6
Uniprot ID:: P30041
Molecular weight:: 25034.715

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details

Enzyme Details

3. Aminopeptidase N

General function:: Involved in proteolysis
Specific function:: Broad specificity aminopeptidase. Plays a role in the final digestion of peptides generated from hydrolysis of proteins by gastric and pancreatic proteases. May play a critical role in the pathogenesis of cholesterol gallstone disease. May be involved in the metabolism of regulatory peptides of diverse cell types, responsible for the processing of peptide hormones, such as angiotensin III and IV, neuropeptides, and chemokines. Found to cleave antigen peptides bound to major histocompatibility complex class II molecules of presenting cells and to degrade neurotransmitters at synaptic junctions. Is also implicated as a regulator of IL-8 bioavailability in the endometrium, and therefore may contribute to the regulation of angiogenesis. Is used as a marker for acute myeloid leukemia and plays a role in tumor invasion. In case of human coronavirus 229E (HCoV-229E) infection, serves as receptor for HCoV-229E spike glycoprotein. Mediates as well human cytomegalovirus (HCMV) infection.
Gene Name:: ANPEP
Uniprot ID:: P15144
Molecular weight:: Not Available

Enzyme Details

4. Glutathione peroxidase 7

General function:: Involved in glutathione peroxidase activity
Specific function:: It protects esophageal epithelia from hydrogen peroxide-induced oxidative stress. It suppresses acidic bile acid-induced reactive oxigen species (ROS) and protects against oxidative DNA damage and double-strand breaks.
Gene Name:: GPX7
Uniprot ID:: Q96SL4
Molecular weight:: 20995.88

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details
Glutathione + 5(S)-Hydroperoxyeicosatetraenoic acid → Oxidized glutathione + 5-HETE + Water	details
Glutathione + 15(S)-HPETE → Oxidized glutathione + 15-HETE + Water	details

Enzyme Details

5. Epididymal secretory glutathione peroxidase

General function:: Involved in glutathione peroxidase activity
Specific function:: Protects cells and enzymes from oxidative damage, by catalyzing the reduction of hydrogen peroxide, lipid peroxides and organic hydroperoxide, by glutathione. May constitute a glutathione peroxidase-like protective system against peroxide damage in sperm membrane lipids.
Gene Name:: GPX5
Uniprot ID:: O75715
Molecular weight:: 25202.14

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details
Glutathione + 5(S)-Hydroperoxyeicosatetraenoic acid → Oxidized glutathione + 5-HETE + Water	details
Glutathione + 15(S)-HPETE → Oxidized glutathione + 15-HETE + Water	details

Enzyme Details

6. Glutathione S-transferase omega-1

General function:: Involved in glutathione transferase activity
Specific function:: Exhibits glutathione-dependent thiol transferase and dehydroascorbate reductase activities. Has S-(phenacyl)glutathione reductase activity. Has also glutathione S-transferase activity. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA) and dimethylarsonic acid.
Gene Name:: GSTO1
Uniprot ID:: P78417
Molecular weight:: 27565.6

Reactions

Glutathione + Dehydroascorbic acid → Oxidized glutathione + Ascorbic acid	details
Methylarsonate + Glutathione → Methylarsonite + Oxidized glutathione + Water	details

Enzyme Details

7. Glutathione peroxidase 6

General function:: Involved in glutathione peroxidase activity
Specific function:: Not Available
Gene Name:: GPX6
Uniprot ID:: P59796
Molecular weight:: 24970.46

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details
Glutathione + 5(S)-Hydroperoxyeicosatetraenoic acid → Oxidized glutathione + 5-HETE + Water	details
Glutathione + 15(S)-HPETE → Oxidized glutathione + 15-HETE + Water	details

Enzyme Details

8. Glutathione peroxidase 1

General function:: Involved in glutathione peroxidase activity
Specific function:: Protects the hemoglobin in erythrocytes from oxidative breakdown.
Gene Name:: GPX1
Uniprot ID:: P07203
Molecular weight:: 22087.94

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details
Glutathione + 5(S)-Hydroperoxyeicosatetraenoic acid → Oxidized glutathione + 5-HETE + Water	details
Glutathione + 15(S)-HPETE → Oxidized glutathione + 15-HETE + Water	details

Enzyme Details

9. Phospholipid hydroperoxide glutathione peroxidase, mitochondrial

General function:: Involved in glutathione peroxidase activity
Specific function:: Protects cells against membrane lipid peroxidation and cell death. Required for normal sperm development and male fertility. Could play a major role in protecting mammals from the toxicity of ingested lipid hydroperoxides. Essential for embryonic development. Protects from radiation and oxidative damage (By similarity).
Gene Name:: GPX4
Uniprot ID:: P36969
Molecular weight:: 25046.57

Reactions

Glutathione + a lipid hydroperoxide → Oxidized glutathione + lipid + Water	details
Lipid hydroperoxide + Glutathione → Lipid + Oxidized glutathione + Water	details

Enzyme Details

10. Glutathione peroxidase 3

General function:: Involved in glutathione peroxidase activity
Specific function:: Protects cells and enzymes from oxidative damage, by catalyzing the reduction of hydrogen peroxide, lipid peroxides and organic hydroperoxide, by glutathione.
Gene Name:: GPX3
Uniprot ID:: P22352
Molecular weight:: 25552.185

Reactions

Glutathione + Hydrogen peroxide → Oxidized glutathione + Water	details
Glutathione + 5(S)-Hydroperoxyeicosatetraenoic acid → Oxidized glutathione + 5-HETE + Water	details
Glutathione + 15(S)-HPETE → Oxidized glutathione + 15-HETE + Water	details

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters

Showing metabocard for Oxidized glutathione (HMDB0003337)

MOL for HMDB0003337 (Oxidized glutathione)

3D MOL for HMDB0003337 (Oxidized glutathione)

3D SDF for HMDB0003337 (Oxidized glutathione)

3D-SDF for HMDB0003337 (Oxidized glutathione)

PDB for HMDB0003337 (Oxidized glutathione)

3D PDB for HMDB0003337 (Oxidized glutathione)

SMILES for HMDB0003337 (Oxidized glutathione)

INCHI for HMDB0003337 (Oxidized glutathione)

Structure for HMDB0003337 (Oxidized glutathione)

3D Structure for HMDB0003337 (Oxidized glutathione)

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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