RefMet Compound Details

RefMet IDRM0139022
MW structure49863 (View MW Metabolite Database details)
RefMet nameOxidized glutathione   Species distribution   Sample source distribution
Systematic name2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid
SMILESC(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass612.151968 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H32N6O12S2View other entries in RefMet with this formula
InChIInChI=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(3
7)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
InChIKeyYPZRWBKMTBYPTK-BJDJZHNGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID65359
ChEBI ID17858
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Oxidized glutathione

Rxn IDKEGG ReactionEnzyme
R00115 2 Glutathione + NADP+ <=> Glutathione disulfide + NADPH + H+glutathione:NADP+ oxidoreductase
R00120 Oxygen + 2 Glutathione <=> Glutathione disulfide + Hydrogen peroxideglutathione:oxygen oxidoreductase
R00274 Hydrogen peroxide + 2 Glutathione <=> Glutathione disulfide + 2 H2Oglutathione:hydrogen-peroxide oxidoreductase
R01108 Dehydroascorbate + 2 Glutathione <=> Glutathione disulfide + Ascorbateglutathione:dehydroascorbate oxidoreductase
R01109 Cystine + 2 Glutathione <=> Glutathione disulfide + 2 CysteineGlutathione:cystine oxidoreductase
R01110 Homocystine + 2 Glutathione <=> Glutathione disulfide + 2 Homocysteineglutathione:homocystine oxidoreductase
R01111 CoA + Glutathione disulfide <=> CoA-glutathione + Glutathionecoenzyme A:glutathione-disulfide oxidoreductase
R01875 Thiosulfate + 2 Glutathione + H+ <=> Sulfite + Glutathione disulfide + Hydrogen sulfideThiosulfate:thiol sulfurtransferase
R02824 Insulin + 2 Glutathione <=> Reduced insulin + Glutathione disulfideglutathione:insulin oxidoreductase
R03167 Lipid hydroperoxide + 2 Glutathione <=> Lipid + Glutathione disulfide + 2 H2Oglutathione:lipid-hydroperoxide oxidoreductase
R03915 Protein dithiol + Glutathione disulfide <=> Protein disulfide + 2 Glutathioneglutathione:protein-disulfide oxidoreductase
R03984 Pyrimidodiazepine + Glutathione disulfide + H2O <=> 6-Pyruvoyltetrahydropterin + 2 Glutathionepyrimidodiazepine:glutathione-disulfide oxidoreductase (ring-opening, cyclizing)
R04039 [Xanthine dehydrogenase] + Glutathione disulfide <=> [Xanthine oxidase] + 2 Glutathione[xanthine-dehydrogenase]:glutathione-disulfide S-oxidoreductase
R12578 2 Glutathione + ROOH <=> Glutathione disulfide + H2O + ROHglutathione:hydroperoxide oxidoreductase

Table of KEGG human pathways containing Oxidized glutathione

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 11
hsa00480 Glutathione metabolism 6
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