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CHEBI:180667 - isovaleronitrile
| Formula | C5H9N |
| Net Charge | 0 |
| Average Mass | 83.134 |
| Monoisotopic Mass | 83.07350 |
| SMILES | CC(C)CC#N |
| InChI | InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3 |
| InChIKey | QHDRKFYEGYYIIK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oenothera biennis (ncbitaxon:3942) | leaf (BTO:0000713) | PubMed (29488452) | |
| Taraxacum (ncbitaxon:49743) | - | DOI (10.1016/j.foodchem.2007.08.003) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isovaleronitrile (CHEBI:180667) has role plant metabolite (CHEBI:76924) |
| isovaleronitrile (CHEBI:180667) is a aliphatic nitrile (CHEBI:80291) |
| isovaleronitrile (CHEBI:180667) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| 3-methylbutanenitrile |
| Synonyms | Source |
|---|---|
| 3-methylbutyronitrile | ChemIDplus |
| isopentane nitrile | ChemIDplus |
| 1-cyano-2-methylpropane | NIST Chemistry WebBook |
| isobutyl cyanide | ChemIDplus |
| isobutylnitrile | ChEBI |
| isoamylnitrile | ChemIDplus |
| Citations |
|---|