RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135889
RefMet name	Glutathione
Systematic name	(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
Synonyms	PubChem Synonyms
Exact mass	307.083809 (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	C10H17N3O6S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37087 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5 -,6-/m0/s1
InChIKey	RWSXRVCMGQZWBV-WDSKDSINSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)N[C@@H](CS)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 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 Glutathione
External Links
Pubchem CID	124886
ChEBI ID	16856
KEGG ID	C00051
HMDB ID	HMDB0000125
Chemspider ID	111188
MetaCyc ID	GLUTATHIONE
EPA CompTox	DTXCID50209263
Spectral data for Glutathione standards
BMRB ID(NMR)	View NMR spectra
NP-MRD 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 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
R00494	Glutathione + H2O <=> Cys-Gly + L-Glutamate	glutathione gamma-glutamylaminopeptidase
R00497	ATP + gamma-L-Glutamyl-L-cysteine + Glycine <=> ADP + Orthophosphate + Glutathione	gamma-L-glutamyl-L-cysteine:glycine ligase (ADP-forming)
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
R01262	Glutathione + L-Amino acid <=> Cys-Gly + (5-L-Glutamyl)-L-amino acid	glutathione:L-amino-acid 5-glutamyltransferase
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
R03522	RX + Glutathione <=> Halide + R-S-Glutathione	RX:glutathione R-transferase
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
R11861	Glutathione <=> Cys-Gly + 5-Oxoproline	glutathione gamma-glutamyl cyclotransferase (5-oxoproline-forming)
R12578	2 Glutathione + ROOH <=> Glutathione disulfide + H2O + ROH	glutathione:hydroperoxide oxidoreductase

Table of KEGG human pathways containing Glutathione

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