Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37866
Common Name:	2-Keto-glutaramic acid
Systematic Name:	4-carbamoyl-2-oxobutanoic acid
RefMet Name:	2-Keto-glutaramic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	145.0375 (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:	C5H7NO4
InChIKey:	COJBGNAUUSNXHX-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Keto acids and derivatives [C0000389]
ClassyFire subclass:	Short-chain keto acids and derivatives [C0001416]
ClassyFire direct parent:	Short-chain keto acids and derivatives [C0001416]
SMILES:	C(CC(=O)N)C(=O)C(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	48
CHEBI ID:	30882
HMDB ID:	HMDB0001552
KEGG ID:	C00940
Chemspider ID:	47
METLIN ID:	6318
MetaCyc ID:	2-KETO-GLUTARAMATE
Plant Metabolite Hub(Pmhub):	MS000017031

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