CHEBI:27986 - nitrosobenzene

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ChEBI Name nitrosobenzene
ChEBI ID CHEBI:27986
Definition A nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44191, CHEBI:7597, CHEBI:25564
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Formula C6H5NO
Net Charge 0
Average Mass 107.11004
Monoisotopic Mass 107.037
InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey NLRKCXQQSUWLCH-UHFFFAOYSA-N
SMILES O=Nc1ccccc1
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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ChEBI Ontology
Outgoing nitrosobenzene (CHEBI:27986) has functional parent benzene (CHEBI:16716)
nitrosobenzene (CHEBI:27986) has role xenobiotic metabolite (CHEBI:76206)
nitrosobenzene (CHEBI:27986) is a benzenes (CHEBI:22712)
nitrosobenzene (CHEBI:27986) is a nitroso compound (CHEBI:35800)
IUPAC Name
nitrosobenzene
Synonyms Sources
Nitrosobenzene KEGG COMPOUND
NITROSOBENZENE PDBeChem
nitrosobenzene UniProt
NOB ChEBI
Database Links Databases
c0314 UM-BBD
C06876 KEGG COMPOUND
NBE PDBeChem
Nitrosobenzene Wikipedia
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Registry Numbers Types Sources
586-96-9 CAS Registry Number KEGG COMPOUND
586-96-9 CAS Registry Number ChemIDplus
586-96-9 CAS Registry Number NIST Chemistry WebBook
605688 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10198250 PubMed citation Europe PMC
10914691 PubMed citation Europe PMC
11304127 PubMed citation Europe PMC
15588915 PubMed citation Europe PMC
Last Modified
25 April 2017