Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87195
Common Name:	2-Aminohippuric acid
Systematic Name:	2-[(2-aminobenzoyl)amino]acetic acid
RefMet Name:	2-Aminohippuric acid
Synonyms:	o-Aminohippuric acid [PubChem Synonyms]
Exact Mass:	194.0691 (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:	C9H10N2O3
InChIKey:	DEFPNMKDESPGBA-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids
ClassyFire class:	Benzene and substituted derivatives
ClassyFire subclass:	Benzoic acids and derivatives
ClassyFire direct parent:	Hippuric acids
SMILES:	c1ccc(c(c1)C(=O)NCC(=O)O)N
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	3080562
CHEBI ID:	165184
HMDB ID:	HMDB0245019
Chemspider ID:	2338318
EPA CompTox DB:	DTXCID80123064

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