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Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group.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
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Formula 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
Metabolite of Species Details
Parastagonospora nodorum (NCBI:txid13684) See: PubMed
Roles Classification
Chemical Role(s): polar aprotic solvent
A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
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.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mutagen
An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
Application(s): polar aprotic solvent
A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
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ChEBI Ontology
Outgoing acrylonitrile (CHEBI:28217) has role antifungal agent (CHEBI:35718)
acrylonitrile (CHEBI:28217) has role carcinogenic agent (CHEBI:50903)
acrylonitrile (CHEBI:28217) has role fungal metabolite (CHEBI:76946)
acrylonitrile (CHEBI:28217) has role mutagen (CHEBI:25435)
acrylonitrile (CHEBI:28217) has role polar aprotic solvent (CHEBI:48358)
acrylonitrile (CHEBI:28217) is a aliphatic nitrile (CHEBI:80291)
acrylonitrile (CHEBI:28217) is a volatile organic compound (CHEBI:134179)
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
Manual Xrefs Databases
2545 PPDB
6AC PDBeChem
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 Beilstein Registry Number Beilstein
605310 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12075111 PubMed citation Europe PMC
23043843 PubMed citation Europe PMC
24248151 PubMed citation Europe PMC
28782019 PubMed citation Europe PMC
28965700 PubMed citation Europe PMC
29217572 PubMed citation Europe PMC
29713581 PubMed citation Europe PMC
8330351 PubMed citation Europe PMC
9598299 PubMed citation Europe PMC
Last Modified
19 July 2018