Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37465
Common Name:	Formiminoglutamic acid
Systematic Name:	(2S)-2-methanimidamidopentanedioic acid
RefMet Name:	Formiminoglutamic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	174.0641 (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:	C6H10N2O4
InChIKey:	NRXIKWMTVXPVEF-BYPYZUCNSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Glutamic acid and derivatives [C0004323]
Massbank MS spectra:	View MS spectra
SMILES:	C(CC(=O)O)[C@@H](C(=O)O)NC=N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439233
CHEBI ID:	7274
HMDB ID:	HMDB0000854
KEGG ID:	C00439
Chemspider ID:	388370
METLIN ID:	5817
MetaCyc ID:	N-FORMIMINO-L-GLUTAMATE
Plant Metabolite Hub(Pmhub):	MS000016871

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