Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37743
Common Name:	Hydroxypyruvic acid
Systematic Name:	3-hydroxy-2-oxopropanoic acid
RefMet Name:	Hydroxypyruvic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	104.0110 (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:	C3H4O4
InChIKey:	HHDDCCUIIUWNGJ-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:	Beta hydroxy acids and derivatives [C0001713]
ClassyFire direct parent:	Beta hydroxy acids and derivatives [C0001713]
MoNA MS spectra:	View MS spectra
SMILES:	C(C(=O)C(=O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	964
CHEBI ID:	30841
HMDB ID:	HMDB0001352
KEGG ID:	C00168
Chemspider ID:	939
METLIN ID:	482
MetaCyc ID:	OH-PYR
EPA CompTox DB:	DTXCID4072079
Plant Metabolite Hub(Pmhub):	MS000016809

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