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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:133638 - stearonitrile
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ChEBI Ontology
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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.
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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
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