Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	61468
Common Name:	N-(4-aminobenzoyl)-L-glutamic acid
Systematic Name:	N-(4-aminobenzoyl)-L-glutamic acid
RefMet Name:	4-Aminobenzoylglutamic acid
Synonyms:	4-aminobenzoylglutamic acid; L-N-(p-aminobenzoyl)glutamic acid; N-(p-aminobenzoyl)glutamic acid; p-aminobenzoyl-L-glutamic acid [PubChem Synonyms]
Exact Mass:	266.0903 (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:	C12H14N2O5
InChIKey:	GADGMZDHLQLZRI-VIFPVBQESA-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]
MoNA MS spectra:	View MS spectra
SMILES:	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
Studies:	Available studies (via RefMet name)

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PubChem CID:	196473
CHEBI ID:	61114

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