RefMet Compound Details

RefMet ID	RM0139022
MW structure	49863 (View MW Metabolite Database details)
RefMet name	Oxidized glutathione
Systematic name	2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid
SMILES	C(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 mass	612.151968 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H32N6O12S2	View other entries in RefMet with this formula
InChI	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(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
InChIKey	YPZRWBKMTBYPTK-BJDJZHNGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Tripeptides
Pubchem CID	65359
ChEBI ID	17858
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Oxidized glutathione

Rxn ID	KEGG Reaction	Enzyme
R00115	2 Glutathione + NADP+ <=> Glutathione disulfide + NADPH + H+	glutathione:NADP+ oxidoreductase
R00120	Oxygen + 2 Glutathione <=> Glutathione disulfide + Hydrogen peroxide	glutathione:oxygen oxidoreductase
R00274	Hydrogen peroxide + 2 Glutathione <=> Glutathione disulfide + 2 H2O	glutathione:hydrogen-peroxide oxidoreductase
R01108	Dehydroascorbate + 2 Glutathione <=> Glutathione disulfide + Ascorbate	glutathione:dehydroascorbate oxidoreductase
R01109	Cystine + 2 Glutathione <=> Glutathione disulfide + 2 Cysteine	Glutathione:cystine oxidoreductase
R01110	Homocystine + 2 Glutathione <=> Glutathione disulfide + 2 Homocysteine	glutathione:homocystine oxidoreductase
R01111	CoA + Glutathione disulfide <=> CoA-glutathione + Glutathione	coenzyme A:glutathione-disulfide oxidoreductase
R01875	Thiosulfate + 2 Glutathione + H+ <=> Sulfite + Glutathione disulfide + Hydrogen sulfide	Thiosulfate:thiol sulfurtransferase
R02824	Insulin + 2 Glutathione <=> Reduced insulin + Glutathione disulfide	glutathione:insulin oxidoreductase
R03167	Lipid hydroperoxide + 2 Glutathione <=> Lipid + Glutathione disulfide + 2 H2O	glutathione:lipid-hydroperoxide oxidoreductase
R03915	Protein dithiol + Glutathione disulfide <=> Protein disulfide + 2 Glutathione	glutathione:protein-disulfide oxidoreductase
R03984	Pyrimidodiazepine + Glutathione disulfide + H2O <=> 6-Pyruvoyltetrahydropterin + 2 Glutathione	pyrimidodiazepine: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 + ROH	glutathione:hydroperoxide oxidoreductase

Table of KEGG human pathways containing Oxidized glutathione

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