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> Main
CHEBI:34104 - 1-nitronaphthalene
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ChEBI Ontology
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ChEBI Name
1-nitronaphthalene
ChEBI ID
CHEBI:34104
Definition
A mononitronaphthalene substituted by a nitro group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C10H7NO2
Net Charge
0
Average Mass
173.16812
Monoisotopic Mass
173.04768
InChI
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
RJKGJBPXVHTNJL-UHFFFAOYSA-N
SMILES
[O-][N+](=O)c1cccc2ccccc12
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-nitronaphthalene (
CHEBI:34104
)
has role
environmental contaminant (
CHEBI:78298
)
1-nitronaphthalene (
CHEBI:34104
)
has role
mouse metabolite (
CHEBI:75771
)
1-nitronaphthalene (
CHEBI:34104
)
is a
mononitronaphthalene (
CHEBI:50632
)
IUPAC Name
1-nitronaphthalene
Synonyms
Sources
1-Nitronaphthalene
KEGG COMPOUND
α-nitronaphthalene
NIST Chemistry WebBook
Nitrol
ChemIDplus
Manual Xref
Database
C14040
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1867714
Reaxys Registry Number
Reaxys
1867714
Beilstein Registry Number
Beilstein
86-57-7
CAS Registry Number
ChemIDplus
86-57-7
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
21264431
PubMed citation
Europe PMC
21420130
PubMed citation
Europe PMC
21922113
PubMed citation
Europe PMC
22894348
PubMed citation
Europe PMC
23013142
PubMed citation
Europe PMC
9020398
PubMed citation
Europe PMC
Last Modified
27 January 2016