Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Preferred Name	nitrosobenzene
Synonyms	NOB NITROSOBENZENE nitrosobenzene Nitrosobenzene
Definitions	A nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene.
ID	http://purl.obolibrary.org/obo/CHEBI_27986
alternative term	NOB NITROSOBENZENE nitrosobenzene Nitrosobenzene
bearer of	http://purl.obolibrary.org/obo/CHEBI_76206
charge	0
database_cross_reference	PDBeChem:NBE PMID:11304127 PMID:10198250 CAS:586-96-9 UM-BBD_compID:c0314 Wikipedia:Nitrosobenzene PMID:10914691 KEGG:C06876 Reaxys:605688 PMID:15588915
definition	A nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene.
formula	C6H5NO
has_alternative_id	CHEBI:44191 CHEBI:25564 CHEBI:7597
has_exact_synonym	NITROSOBENZENE nitrosobenzene Nitrosobenzene
has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_16716
has_obo_namespace	chebi_ontology
has_related_synonym	NOB
id	CHEBI:27986
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
inchi	InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
inchikey	NLRKCXQQSUWLCH-UHFFFAOYSA-N
label	nitrosobenzene
mass	107.11004
monoisotopicmass	107.03711
notation	CHEBI:27986
prefLabel	nitrosobenzene
RO_0000087	http://purl.obolibrary.org/obo/CHEBI_76206
smiles	O=Nc1ccccc1
subClassOf	http://purl.obolibrary.org/obo/CHEBI_22712 http://purl.obolibrary.org/obo/CHEBI_35800

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_27986	GO-PLUS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_27986	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_27986	CHEBI	SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C012456	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/C012456	MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_27986	GO-PLUS	LOOM
http://purl.obolibrary.org/obo/CHEBI_27986	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_27986	CHEBI	LOOM