CHEBI:36108 - 1-hydroxy-2-naphthoic acid

ChEBI IDCHEBI:36108
ChEBI Name1-hydroxy-2-naphthoic acid
Stars
DefinitionA naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms.
Secondary ChEBI IDsCHEBI:634, CHEBI:19050
Last Modified21 June 2016
DownloadsMolfile
FormulaC11H8O3
Net Charge0
Average Mass188.182
Monoisotopic Mass188.04734
SMILESO=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKeySJJCQDRGABAVBB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-2-naphthoic acid (CHEBI:36108) has functional parent 2-naphthoic acid (CHEBI:36106)
1-hydroxy-2-naphthoic acid (CHEBI:36108) has role bacterial xenobiotic metabolite (CHEBI:76976)
1-hydroxy-2-naphthoic acid (CHEBI:36108) has role fungal xenobiotic metabolite (CHEBI:76968)
1-hydroxy-2-naphthoic acid (CHEBI:36108) is a hydroxy monocarboxylic acid (CHEBI:35868)
1-hydroxy-2-naphthoic acid (CHEBI:36108) is a naphthoic acid (CHEBI:25483)
1-hydroxy-2-naphthoic acid (CHEBI:36108) is a naphthols (CHEBI:25392)
1-hydroxy-2-naphthoic acid (CHEBI:36108) is conjugate acid of 1-hydroxy-2-naphthoate (CHEBI:15992)
Incoming Relation(s)
1-hydroxy-2-naphthoate (CHEBI:15992) is conjugate base of 1-hydroxy-2-naphthoic acid (CHEBI:36108)
IUPAC Name 
1-hydroxynaphthalene-2-carboxylic acid
Synonyms  Source
1-Hydroxy-2-naphthoic acidKEGG COMPOUND
1-Naphthol-2-carboxylic acidKEGG COMPOUND
1-hydroxy-2-naphthalenecarboxylic acidChemIDplus
2-carboxy-1-naphtholChemIDplus
Manual XrefsDatabases
C03203KEGG COMPOUND
US7358391Patent
Registry NumbersSources
Gmelin:721746Gmelin
Beilstein:974438Beilstein
Reaxys:974438Reaxys
CAS:86-48-6KEGG COMPOUND
CAS:86-48-6ChemIDplus
Citations