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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:36466 - 1-naphthoic acid
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ChEBI Name
1-naphthoic acid
ChEBI ID
CHEBI:36466
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)
InChIKey
LNETULKMXZVUST-UHFFFAOYSA-N
SMILES
OC(=O)c1cccc2ccccc12
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):
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
)
IUPAC Name
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
C14091
KEGG COMPOUND
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
Types
Sources
23178176
PubMed citation
Europe PMC
24033877
PubMed citation
Europe PMC
Last Modified
16 July 2015