CHEBI:91154 - 1-cyano-8-(methylsulfinyl)heptane

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ChEBI Name 1-cyano-8-(methylsulfinyl)heptane
ChEBI ID CHEBI:91154
Definition A member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.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 C9H17NOS
Net Charge 0
Average Mass 187.304
Monoisotopic Mass 187.10309
InChI InChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
InChIKey VRYSUGWFYFXWLB-UHFFFAOYSA-N
SMILES C(CCCCS(C)=O)CCC#N
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: PubMed
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)heptane (CHEBI:91154) has role plant metabolite (CHEBI:76924)
1-cyano-8-(methylsulfinyl)heptane (CHEBI:91154) is a aliphatic nitrile (CHEBI:80291)
1-cyano-8-(methylsulfinyl)heptane (CHEBI:91154) is a sulfoxide (CHEBI:22063)
IUPAC Name
8-(methanesulfinyl)octanenitrile
Synonym Source
7-MeSO-heptyl-CN ChEBI
Registry Number Type Source
5496217 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25457500 PubMed citation Europe PMC
Last Modified
05 July 2016