Metabolomics Structure Database

 
MW REGNO: 37569
Common Name:Gamma-Glutamylcysteine
Systematic Name:(2S)-2-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
RefMet Name:gamma-Glutamylcysteine
Synonyms: [PubChem Synonyms]
Exact Mass:
250.0623 (neutral)    Calculate m/z:
Formula:C8H14N2O5S
InChIKey:RITKHVBHSGLULN-WHFBIAKZSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Dipeptides [C0004830]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:123938
CHEBI ID:17515
HMDB ID:HMDB0001049
KEGG ID:C00669
Chemspider ID:110467
METLIN ID:5966
MetaCyc ID:L-GAMMA-GLUTAMYLCYSTEINE
NP-MRD ID(NMR):NP0000885

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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