EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:91153
ChEBI Name1-cyano-8-(methylsulfinyl)octane
Stars
DefinitionA member of the class of aliphatic nitriles that is nonanenitrile in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC10H19NOS
Net Charge0
Average Mass201.335
Monoisotopic Mass201.11874
SMILESCS(=O)CCCCCCCCC#N
InChIInChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
InChIKeyXGRYRNQISNOEGY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
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)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  Source
8-MeSO-octyl-CNChEBI
9-methylsulfinylnonanenitrileChEBI
8-(methylsulfinyl)octyl cyanideChEBI
Registry NumbersSources
Reaxys:7914995Reaxys
Citations