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CHEBI:28217 - acrylonitrile
| Formula | C3H3N |
| Net Charge | 0 |
| Average Mass | 53.064 |
| Monoisotopic Mass | 53.02655 |
| SMILES | C=CC#N |
| InChI | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
| InChIKey | NLHHRLWOUZZQLW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Parastagonospora nodorum (ncbitaxon:13684) | - | PubMed (23043843) |
| Roles Classification |
|---|
| Chemical Role: | 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 Roles: | 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. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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. |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| allylidyne group (CHEBI:48085) is substituent group from acrylonitrile (CHEBI:28217) |
| IUPAC Name |
|---|
| acrylonitrile |
| Synonyms | Source |
|---|---|
| 2-propenenitrile | NIST Chemistry WebBook |
| Acrylnitril | ChemIDplus |
| Acrylonitrile | KEGG COMPOUND |
| Acrylsäurenitril | ChEBI |
| cyanure de vinyle | ChemIDplus |
| nitrile acrylique | ChemIDplus |
| UniProt Name | Source |
|---|---|
| acrylonitrile | UniProt |
| Citations |
|---|