Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37135
Common Name:	Oxoglutaric acid
Systematic Name:	2-oxopentanedioic acid
RefMet Name:	2-Oxoglutaric acid
Synonyms:	alpha-ketoglutaric acid; alpha-ketoglutarate; Oxoglutarate [PubChem Synonyms]
Exact Mass:	146.0215 (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:	C5H6O5
InChIKey:	KPGXRSRHYNQIFN-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Keto acids and derivatives [C0000389]
ClassyFire subclass:	Gamma-keto acids and derivatives [C0001115]
ClassyFire direct parent:	Gamma-keto acids and derivatives [C0001115]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C(CC(=O)O)C(=O)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	51
CHEBI ID:	30915
HMDB ID:	HMDB0000208
KEGG ID:	C00026
Chemspider ID:	50
METLIN ID:	5218
BMRB ID:	bmse000937
MetaCyc ID:	2-KETOGLUTARATE
NP-MRD ID(NMR):	NP0000103
Plant Metabolite Hub(Pmhub):	MS000000269

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