Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	204330
Common Name:	5-Hydroxyanthranilic acid
Systematic Name:	2-amino-5-hydroxy-benzoic acid
RefMet Name:	5-Hydroxyanthranilic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	153.0426 (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:	C7H7NO3
InChIKey:	HYNQTSZBTIOFKH-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids
ClassyFire subclass:	Benzenes
ClassyFire direct parent:	Hydroxybenzoic acids
SMILES:	c1cc(c(cc1O)C(=O)O)N
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	164592
CHEBI ID:	181437
KEGG ID:	C22371
Chemspider ID:	144289
PhytoHub ID:	PHUB001980

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