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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 O
2
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
107.03711
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.
View more via ChEBI Ontology
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
Manual Xrefs
Databases
c0314
UM-BBD
C06876
KEGG COMPOUND
NBE
PDBeChem
Nitrosobenzene
Wikipedia
View more database links
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
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