Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	54080
Common Name:	3-amino-5-hydroxybenzoic acid
Systematic Name:	3-amino-5-hydroxybenzoic acid
RefMet Name:	3-Amino-5-hydroxybenzoic acid
Synonyms:	3-Ahba; 3-Amino-5-hydroxybenzoic acid; AHBA [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:	QPEJHSFTZVMSJH-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:	Hydroxybenzoic acid derivatives [C0001248]
MoNA MS spectra:	View MS spectra
SMILES:	c1c(cc(cc1N)O)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	127115
CHEBI ID:	29507
HMDB ID:	HMDB0304942
KEGG ID:	C12107
Marine Natural Products DB:	CMNPD27222
Plant Metabolite Hub(Pmhub):	MS000022845

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