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CHEBI:91158 - 8-(methylsulfinyl)octylamine

ChEBI IDCHEBI:91158
ChEBI Name8-(methylsulfinyl)octylamine
Stars
DefinitionA primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H21NOS
Net Charge0
Average Mass191.340
Monoisotopic Mass191.13439
SMILESCS(=O)CCCCCCCCN
InChIInChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeySSWZIHDEYOORCA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
8-(methylsulfinyl)octylamine (CHEBI:91158) has role plant metabolite (CHEBI:76924)
8-(methylsulfinyl)octylamine (CHEBI:91158) is a primary amino compound (CHEBI:50994)
8-(methylsulfinyl)octylamine (CHEBI:91158) is a sulfoxide (CHEBI:22063)
IUPAC Name 
8-(methanesulfinyl)octan-1-amine
Synonyms  Source
8-MeSO-octyl-NH2ChEBI
8-methylsulfinyloctylamineChEBI
8-(methylsulfinyl)-1-aminooctaneChEBI
Registry NumbersSources
Reaxys:28063961Reaxys
Citations