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> Main
CHEBI:36106 - 2-naphthoic acid
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ChEBI Ontology
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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
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Formula
C11H8O2
Net Charge
0
Average Mass
172.18002
Monoisotopic Mass
172.05243
InChI
InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey
UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc2ccccc2c1
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
Types
Sources
19005807
PubMed citation
Europe PMC
19712381
PubMed citation
Europe PMC
Last Modified
27 January 2016