Metabolomics Structure Database

 
MW REGNO: 50464
Common Name:3-sulfino-L-alanine
Systematic Name:3-sulfino-L-alanine
Synonyms:(2R)-2-amino-3-sulfinopropanoic acid [PubChem Synonyms]
Exact Mass:
153.0096 (neutral)    Calculate m/z:
Formula:C3H7NO4S
InChIKey:ADVPTQAUNPRNPO-REOHCLBHSA-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:Alpha amino acids [C0002404]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:1549098
CHEBI ID:16345
HMDB ID:HMDB0060179
KEGG ID:C00606
BMRB ID:bmse000706

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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