Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	49917
Common Name:	4-oxoglutaramate
Systematic Name:	5-azanyl-4,5-bis(oxidanylidene)pentanoic acid
RefMet Name:	4-Oxoglutaramic acid
Synonyms:	5-amino-4,5-diketo-valeric acid [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:	UGKYJAWJZICPEX-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]
SMILES:	C(CC(=O)O)C(=O)C(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440726
KEGG ID:	C05572
MetaCyc ID:	4-OXOGLUTARAMATE
Plant Metabolite Hub(Pmhub):	MS000018775

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