CHEBI:28217 - acrylonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acrylonitrile
ChEBI ID CHEBI:28217
Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2442, CHEBI:22217
Supplier Information
Download Molfile XML SDF
more structures >>
Formulae C3H3N
C3H3N
Net Charge 0
Average Mass 53.06260
Monoisotopic Mass 53.027
InChI InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey NLHHRLWOUZZQLW-UHFFFAOYSA-N
SMILES C=CC#N
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acrylonitrile (CHEBI:28217) has role carcinogenic agent (CHEBI:50903)
acrylonitrile (CHEBI:28217) is a aliphatic nitrile (CHEBI:80291)
Incoming allylidyne group (CHEBI:48085) is substituent group from acrylonitrile (CHEBI:28217)
IUPAC Name
acrylonitrile
Synonyms Sources
2-propenenitrile NIST Chemistry WebBook
Acrylnitril ChemIDplus
Acrylonitrile KEGG COMPOUND
Acrylsäurenitril ChEBI
cyanure de vinyle ChemIDplus
nitrile acrylique ChemIDplus
Propenenitrile KEGG COMPOUND
Vinyl cyanide KEGG COMPOUND
Database Links Databases
c0148 UM-BBD
C01998 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
107-13-1 CAS Registry Number KEGG COMPOUND
107-13-1 CAS Registry Number NIST Chemistry WebBook
107-13-1 CAS Registry Number ChemIDplus
605310 Reaxys Registry Number Reaxys
605310 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12075111 PubMed citation Europe PMC
24248151 PubMed citation Europe PMC
Last Modified
01 May 2015