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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:36298 - 1-naphthoate
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ChEBI Ontology
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ChEBI Name
1-naphthoate
ChEBI ID
CHEBI:36298
Definition
A naphthoate that is the conjugate base of 1-naphthoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19072, CHEBI:30901
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Formula
C11H7O2
Net Charge
-1
Average Mass
171.17208
Monoisotopic Mass
171.04515
InChI
InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)/p-1
InChIKey
LNETULKMXZVUST-UHFFFAOYSA-M
SMILES
[O-]C(=O)c1cccc2ccccc12
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
fungal xenobiotic metabolite
Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
1-naphthoic acid (
CHEBI:36466
)
is conjugate acid of
1-naphthoate (
CHEBI:36298
)
IUPAC Name
naphthalene-1-carboxylate
Synonyms
Sources
1-naphthoate
UniProt
1-naphthoate(1−)
ChEBI
Manual Xref
Database
CPD-7615
MetaCyc
View more database links
Registry Numbers
Types
Sources
332225
Gmelin Registry Number
Gmelin
3905477
Beilstein Registry Number
Beilstein
3905477
Reaxys Registry Number
Reaxys
Last Modified
15 January 2019