CHEBI:36466 - 1-naphthoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-naphthoic acid
Definition A naphthoic acid carrying a carboxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19073, CHEBI:34096
Supplier Information
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Formula C11H8O2
Net Charge 0
Average Mass 172.18002
Monoisotopic Mass 172.05243
InChI InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
SMILES OC(=O)c1cccc2ccccc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-naphthoic acid (CHEBI:36466) has role bacterial xenobiotic metabolite (CHEBI:76976)
1-naphthoic acid (CHEBI:36466) has role fungal xenobiotic metabolite (CHEBI:76968)
1-naphthoic acid (CHEBI:36466) is a naphthoic acid (CHEBI:25483)
1-naphthoic acid (CHEBI:36466) is conjugate acid of 1-naphthoate (CHEBI:36298)
Incoming 1-naphthoate (CHEBI:36298) is conjugate base of 1-naphthoic acid (CHEBI:36466)
1-naphthoyl group (CHEBI:52676) is substituent group from 1-naphthoic acid (CHEBI:36466)
naphthalene-1-carboxylic acid
Synonyms Sources
1-Carboxynaphthalene KEGG COMPOUND
1-naphthalenecarboxylic acid NIST Chemistry WebBook
1-Naphthoic acid KEGG COMPOUND
alpha-Naphthoic acid KEGG COMPOUND
α-naphthoic acid NIST Chemistry WebBook
Manual Xrefs Databases
C00019348 KNApSAcK
c0723 UM-BBD
CPD-7615 MetaCyc
View more database links
Registry Numbers Types Sources
1908896 Beilstein Registry Number Beilstein
1908896 Reaxys Registry Number Reaxys
28651 Gmelin Registry Number Gmelin
86-55-5 CAS Registry Number KEGG COMPOUND
86-55-5 CAS Registry Number NIST Chemistry WebBook
86-55-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23178176 PubMed citation Europe PMC
24033877 PubMed citation Europe PMC
Last Modified
16 July 2015