Metabolomics Structure Database

 
MW REGNO: 37075
Common Name:L-Cystathionine
Systematic Name:(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
222.0674 (neutral)    Calculate m/z:
Formula:C7H14N2O4S
InChIKey:ILRYLPWNYFXEMH-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:L-cysteine-S-conjugates [C0004555]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:439258
CHEBI ID:17482
HMDB ID:HMDB0000099
KEGG ID:C02291
Chemspider ID:388392
METLIN ID:39
MetaCyc ID:L-CYSTATHIONINE

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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