RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0137513
RefMet name	Cys-Gly
Systematic name	L-Cysteinyl-glycine
Synonyms	PubChem Synonyms
Exact mass	178.041215 (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	C5H10N2O3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	78743 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1
InChIKey	ZUKPVRWZDMRIEO-VKHMYHEASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)O)NC(=O)[C@H](CS)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 Cys-Gly 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 Cys-Gly
External Links
Pubchem CID	439498
ChEBI ID	4047
KEGG ID	C01419
HMDB ID	HMDB0000078
Spectral data for Cys-Gly standards
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 Cys-Gly

Rxn ID	KEGG Reaction	Enzyme
R00494	Glutathione + H2O <=> Cys-Gly + L-Glutamate	glutathione gamma-glutamylaminopeptidase
R00899	Cys-Gly + H2O <=> L-Cysteine + Glycine	L-cysteinylglycine dipeptidase

Table of KEGG human pathways containing Cys-Gly

Pathway ID	Human Pathway	# of reactions
hsa00480	Glutathione metabolism	3