RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136036
RefMet name	gamma-Glutamylcysteine
Systematic name	(2S)-2-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Synonyms	PubChem Synonyms
Exact mass	250.062345 (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	C8H14N2O5S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37569 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKey	RITKHVBHSGLULN-WHFBIAKZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)N[C@@H](CS)C(=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	Dipeptides
Distribution of gamma-Glutamylcysteine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting gamma-Glutamylcysteine
External Links
Pubchem CID	123938
ChEBI ID	17515
KEGG ID	C00669
HMDB ID	HMDB0001049
Chemspider ID	110467
MetaCyc ID	L-GAMMA-GLUTAMYLCYSTEINE
PhytoHub DB	PHUB001850
Spectral data for gamma-Glutamylcysteine standards
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 gamma-Glutamylcysteine

Rxn ID	KEGG Reaction	Enzyme
R00894	ATP + L-Glutamate + L-Cysteine <=> ADP + Orthophosphate + gamma-L-Glutamyl-L-cysteine	L-glutamate:L-cysteine gamma-ligase (ADP-forming)
R02743	gamma-L-Glutamyl-L-cysteine <=> 5-Oxoproline + L-Cysteine	gamma-L-glutamyl-L-cysteine gamma-glutamyl cyclotransferase (5-oxoproline-forming)

Table of KEGG human pathways containing gamma-Glutamylcysteine

Pathway ID	Human Pathway	# of reactions
hsa00480	Glutathione metabolism	3