Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53105
Common Name:	D-4-hydroxy-2-oxoglutaric acid
Systematic Name:	(2R)-2-hydroxy-4-oxopentanedioic acid
RefMet Name:	4-Hydroxy-2-oxoglutaric acid
Synonyms:	(R)-2-hydroxy-4-ketopentanedioic acid; (R)-2-hydroxy-4-oxopentanedioic acid; D-4-Hydroxy-2-oxoglutarate; D-4-hydroxy-2-ketoglutaric acid [PubChem Synonyms]
Exact Mass:	162.0164 (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:	C5H6O6
InChIKey:	WXSKVKPSMAHCSG-UWTATZPHSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty acids
LIPID MAPS subclass:	Dicarboxylic acids
SMILES:	C([C@H](C(=O)O)O)C(=O)C(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	440853
CHEBI ID:	4083
HMDB ID:	HMDB0060466

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