CHEBI:36106 - 2-naphthoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-naphthoic acid
ChEBI ID CHEBI:36106
Definition A naphthoic acid that is naphthalene carrying a carboxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34299, CHEBI:19725, CHEBI:30900
Supplier Information
Download Molfile XML SDF
Formula C11H8O2
Net Charge 0
Average Mass 172.18002
Monoisotopic Mass 172.05243
InChI InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES OC(=O)c1ccc2ccccc2c1
Metabolite of Species Details
Mus musculus (NCBI:txidtxid10090) Source: BioModels - MODEL1507180067 See: PubMed
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): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-naphthoic acid (CHEBI:36106) has role mouse metabolite (CHEBI:75771)
2-naphthoic acid (CHEBI:36106) has role xenobiotic metabolite (CHEBI:76206)
2-naphthoic acid (CHEBI:36106) is a naphthoic acid (CHEBI:25483)
2-naphthoic acid (CHEBI:36106) is conjugate acid of 2-naphthoate (CHEBI:36107)
Incoming 1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) has functional parent 2-naphthoic acid (CHEBI:36106)
1-hydroxy-2-naphthoic acid (CHEBI:36108) has functional parent 2-naphthoic acid (CHEBI:36106)
2-naphthoyl-CoA (CHEBI:34300) has functional parent 2-naphthoic acid (CHEBI:36106)
6-dimethylamino-2-naphthoic acid (CHEBI:51912) has functional parent 2-naphthoic acid (CHEBI:36106)
pamoic acid (CHEBI:50186) has functional parent 2-naphthoic acid (CHEBI:36106)
2-naphthoate (CHEBI:36107) is conjugate base of 2-naphthoic acid (CHEBI:36106)
2-naphthoyl group (CHEBI:52675) is substituent group from 2-naphthoic acid (CHEBI:36106)
IUPAC Name
naphthalene-2-carboxylic acid
Synonyms Sources
2-naphthalenecarboxylic acid ChemIDplus
2-Naphthalenecarboxylic acid KEGG COMPOUND
2-Naphthoic acid KEGG COMPOUND
β-naphthoic acid ChemIDplus
beta-Naphthoic acid KEGG COMPOUND
isonaphthoic acid ChemIDplus
Manual Xref Database
C14101 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
185326 Gmelin Registry Number Gmelin
93-09-4 CAS Registry Number ChemIDplus
93-09-4 CAS Registry Number NIST Chemistry WebBook
972039 Beilstein Registry Number Beilstein
972039 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19005807 PubMed citation Europe PMC
19712381 PubMed citation Europe PMC
Last Modified
27 January 2016