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CHEBI:133638 - stearonitrile

ChEBI IDCHEBI:133638
ChEBI Namestearonitrile
Stars
DefinitionA fatty nitrile obtained by formal condensation of stearic (octadecanoic) acid with ammonia.
Last Modified24 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC18H35N
Net Charge0
Average Mass265.485
Monoisotopic Mass265.27695
SMILESCCCCCCCCCCCCCCCCCC#N
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKeyRHSBIGNQEIPSCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
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)
stearonitrile (CHEBI:133638) has functional parent octadecanoic acid (CHEBI:28842)
stearonitrile (CHEBI:133638) has role plant metabolite (CHEBI:76924)
stearonitrile (CHEBI:133638) is a fatty nitrile (CHEBI:39269)
IUPAC Name 
octadecanenitrile
Synonyms  Source
Heptadecyl cyanideNIST Chemistry WebBook
OctadecanonitrileChemIDplus
1-CyanoheptadecaneChemIDplus
Manual XrefsDatabases
12015ChemSpider
Registry NumbersSources
Reaxys:972464Reaxys
CAS:638-65-3ChemIDplus
CAS:638-65-3NIST Chemistry WebBook
Citations