RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0139022
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	49863 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Tripeptides
Distribution of Oxidized glutathione in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Oxidized glutathione
External Links
Pubchem CID	65359
ChEBI ID	17858
KEGG ID	C00127
HMDB ID	HMDB0003337
Spectral data for Oxidized glutathione standards
BMRB ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
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