CHEBI:91153 - 1-cyano-8-(methylsulfinyl)octane

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ChEBI Name 1-cyano-8-(methylsulfinyl)octane
ChEBI ID CHEBI:91153
Definition A member of the class of aliphatic nitriles that is nonanenitrile in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H19NOS
Net Charge 0
Average Mass 201.330
Monoisotopic Mass 201.11874
InChI InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
InChIKey XGRYRNQISNOEGY-UHFFFAOYSA-N
SMILES C(CCCCS(C)=O)CCCC#N
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). 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 1-cyano-8-(methylsulfinyl)octane (CHEBI:91153) has role plant metabolite (CHEBI:76924)
1-cyano-8-(methylsulfinyl)octane (CHEBI:91153) is a aliphatic nitrile (CHEBI:80291)
1-cyano-8-(methylsulfinyl)octane (CHEBI:91153) is a sulfoxide (CHEBI:22063)
IUPAC Name
9-(methanesulfinyl)nonanenitrile
Synonyms Sources
8-(methylsulfinyl)octyl cyanide ChEBI
8-MeSO-octyl-CN ChEBI
9-methylsulfinylnonanenitrile ChEBI
Registry Number Type Source
7914995 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25457500 PubMed citation Europe PMC
Last Modified
05 July 2016