Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	57925
Common Name:	Methyl pyruvate
Systematic Name:	methyl 2-oxopropanoate
RefMet Name:	Methyl pyruvate
Synonyms:	Methyl 2-oxopropionate; Methylglyoxylic acid methyl ester; Pyruvic acid, methyl ester [PubChem Synonyms]
Exact Mass:	102.0317 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C4H6O3
InChIKey:	CWKLZLBVOJRSOM-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Keto acids and derivatives [C0000389]
ClassyFire subclass:	Alpha-keto acids and derivatives [C0001113]
ClassyFire direct parent:	Alpha-keto acids and derivatives [C0001113]
SMILES:	CC(=O)C(=O)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	11748
CHEBI ID:	51850
HMDB ID:	HMDB0254610
MetaCyc ID:	CPD-3573
Plant Metabolite Hub(Pmhub):	MS000192320

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