Metabolomics Structure Database

 
MW REGNO: 68115
Common Name:S-Methylglutathione
Systematic Name:(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(methylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
RefMet Name:S-Methylglutathione
Synonyms:S-METHYL-GLUTATHIONE; S-Methyl glutathione; Glutathione ester [PubChem Synonyms]
Exact Mass:
321.0995 (neutral)    Calculate m/z:
Formula:C11H19N3O6S
InChIKey:QTQDDTSVRVWHMO-BQBZGAKWSA-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:Oligopeptides [C0004831]
SMILES:CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:115260
KEGG ID:C11347
Plant Metabolite Hub(Pmhub):MS000016610

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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