RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136304
RefMet name	gamma-Glutamylalanine
Alternative name	Gamma-Glutamylalanine
Systematic name	(2S)-2-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Synonyms	PubChem Synonyms
Exact mass	218.090273 (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	C8H14N2O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38841 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKey	WQXXXVRAFAKQJM-WHFBIAKZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H](C(=O)O)NC(=O)CC[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-Glutamylalanine 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 gamma-Glutamylalanine
External Links
Pubchem CID	440103
ChEBI ID	50621
KEGG ID	C03740
HMDB ID	HMDB0006248
Chemspider ID	389104
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-Glutamylalanine

Rxn ID	KEGG Reaction	Enzyme
R01262	Glutathione + L-Amino acid <=> Cys-Gly + (5-L-Glutamyl)-L-amino acid	glutathione:L-amino-acid 5-glutamyltransferase
R03749	(5-L-Glutamyl)-L-amino acid <=> 5-Oxoproline + L-Amino acid	(5-L-glutamyl)-L-amino-acid gamma-glutamyl cyclotransferase (5-oxoproline-forming)

Table of KEGG human pathways containing gamma-Glutamylalanine

Pathway ID	Human Pathway	# of reactions
hsa00480	Glutathione metabolism	2