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CHEBI:91159 - 8-(methylthio)octylamine

ChEBI IDCHEBI:91159
ChEBI Name8-(methylthio)octylamine
Stars
DefinitionA primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylthio group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H21NS
Net Charge0
Average Mass175.341
Monoisotopic Mass175.13947
SMILESCSCCCCCCCCN
InChIInChI=1S/C9H21NS/c1-11-9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeyFBFJELLIZHWAOM-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-(methylthio)octylamine (CHEBI:91159) has role plant metabolite (CHEBI:76924)
8-(methylthio)octylamine (CHEBI:91159) is a aliphatic sulfide (CHEBI:22327)
8-(methylthio)octylamine (CHEBI:91159) is a primary amino compound (CHEBI:50994)
IUPAC Name 
8-(methylsulfanyl)octan-1-amine
Synonyms  Source
8-MeS-octyl-NH2ChEBI
8-methylthiooctylamineChEBI
8-methylsulfanyloctylamineChEBI
8-(methylsulfanyl)octylamineChEBI
Registry NumbersSources
Reaxys:1737554Reaxys
Citations