CHEBI:34104 - 1-nitronaphthalene

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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.
Supplier Information
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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 Waiting for 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