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CHEBI:36298 - 1-naphthoate

ChEBI IDCHEBI:36298
ChEBI Name1-naphthoate
Stars
DefinitionA naphthoate that is the conjugate base of 1-naphthoic acid.
Secondary ChEBI IDsCHEBI:19072, CHEBI:30901
Last Modified15 January 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H7O2
Net Charge-1
Average Mass171.175
Monoisotopic Mass171.04515
SMILESO=C([O-])c1cccc2ccccc12
InChIInChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)/p-1
InChIKeyLNETULKMXZVUST-UHFFFAOYSA-M
Roles Classification
Biological Roles:
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
1-naphthoate (CHEBI:36298) has role bacterial xenobiotic metabolite (CHEBI:76976)
1-naphthoate (CHEBI:36298) has role fungal xenobiotic metabolite (CHEBI:76968)
1-naphthoate (CHEBI:36298) is a naphthoate (CHEBI:25482)
1-naphthoate (CHEBI:36298) is conjugate base of 1-naphthoic acid (CHEBI:36466)
Incoming Relation(s)
1-naphthoic acid (CHEBI:36466) is conjugate acid of 1-naphthoate (CHEBI:36298)
IUPAC Name 
naphthalene-1-carboxylate
Synonym  Source
1-naphthoate(1−)ChEBI
UniProt Name  Source
1-naphthoateUniProt
Manual XrefsDatabases
CPD-7615MetaCyc
Registry NumbersSources
Gmelin:332225Gmelin
Beilstein:3905477Beilstein
Reaxys:3905477Reaxys