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CHEBI:25979 - phenylacetonitrile
| Formula | C8H7N |
| Net Charge | 0 |
| Average Mass | 117.151 |
| Monoisotopic Mass | 117.05785 |
| SMILES | N#CCc1ccccc1 |
| InChI | InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | SUSQOBVLVYHIEX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Schistocerca gregaria (ncbitaxon:7010) | - | PubMed (12770022) |
| Roles Classification |
|---|
| Biological Roles: | animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenylacetonitrile (CHEBI:25979) has functional parent acetonitrile (CHEBI:38472) |
| phenylacetonitrile (CHEBI:25979) has role animal metabolite (CHEBI:75767) |
| phenylacetonitrile (CHEBI:25979) has role pheromone (CHEBI:26013) |
| phenylacetonitrile (CHEBI:25979) is a benzenes (CHEBI:22712) |
| phenylacetonitrile (CHEBI:25979) is a nitrile (CHEBI:18379) |
| Incoming Relation(s) |
| 2-amino-2-phenylacetonitrile (CHEBI:77398) has functional parent phenylacetonitrile (CHEBI:25979) |
| SureCN668028 (CHEBI:74932) has functional parent phenylacetonitrile (CHEBI:25979) |
| IUPAC Name |
|---|
| phenylacetonitrile |
| Synonyms | Source |
|---|---|
| benzyl cyanide | ChemIDplus |
| benzeneacetonitrile | NIST Chemistry WebBook |
| α-cyanotoluene | NIST Chemistry WebBook |
| (cyanomethyl)benzene | NIST Chemistry WebBook |
| 2-phenylacetonitrile | UM-BBD |
| benzyl nitrile | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| phenylacetonitrile | UniProt |
| Citations |
|---|