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

ChEBI IDCHEBI:91154
ChEBI Name1-cyano-8-(methylsulfinyl)heptane
Stars
DefinitionA member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H17NOS
Net Charge0
Average Mass187.308
Monoisotopic Mass187.10309
SMILESCS(=O)CCCCCCCC#N
InChIInChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
InChIKeyVRYSUGWFYFXWLB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
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)
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-CNChEBI
Registry NumbersSources
Reaxys:5496217Reaxys
Citations