CHEBI:133638 - stearonitrile

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ChEBI Name stearonitrile
ChEBI ID CHEBI:133638
Definition A fatty nitrile obtained by formal condensation of stearic (octadecanoic) acid with ammonia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H35N
Net Charge 0
Average Mass 265.478
Monoisotopic Mass 265.27695
InChI InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKey RHSBIGNQEIPSCT-UHFFFAOYSA-N
SMILES C(CCCCCCCC#N)CCCCCCCCC
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-Cyanoheptadecane ChemIDplus
Heptadecyl cyanide NIST Chemistry WebBook
Octadecanonitrile ChemIDplus
Manual Xref Database
12015 ChemSpider
View more database links
Registry Numbers Types Sources
638-65-3 CAS Registry Number NIST Chemistry WebBook
638-65-3 CAS Registry Number ChemIDplus
972464 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15210362 PubMed citation Europe PMC
16347731 PubMed citation Europe PMC
16913791 PubMed citation Europe PMC
17027948 PubMed citation Europe PMC
8165177 PubMed citation Europe PMC
Last Modified
24 March 2017