Metabolomics Structure Database

 
MW REGNO: 1526
Common Name:3-methyl pyruvic acid
Systematic Name:2-oxo-butanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
102.0317 (neutral)    Calculate m/z:
Formula:C4H6O3
InChIKey:TYEYBOSBBBHJIV-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [LMFA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [LMFA01]
LIPID MAPS subclass:Oxo fatty acids [LMFA0106]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:58
LIPID MAPS ID:LMFA01060002
CHEBI ID:30831
HMDB ID:HMDB0000005
KEGG ID:C00109
Chemspider ID:57
BMRB ID:bmse000325
MetaCyc ID:2-OXOBUTANOATE

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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