8-(methylsulfinyl)octylamine (CHEBI:91158)

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ChEBI Name	8-(methylsulfinyl)octylamine

ChEBI ID	CHEBI:91158

Definition	A primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.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

C9H21NOS

Net Charge

Average Mass

191.336

Monoisotopic Mass

191.13439

InChI

InChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3

InChIKey

SSWZIHDEYOORCA-UHFFFAOYSA-N

SMILES

C(CCCCS(C)=O)CCCN

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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.

ChEBI Ontology
Outgoing	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	Sources
8-(methylsulfinyl)-1-aminooctane	ChEBI
8-MeSO-octyl-NH₂	ChEBI
8-methylsulfinyloctylamine	ChEBI

Registry Number	Type	Source
28063961	Reaxys Registry Number	Reaxys

Citation	Type	Source
25457500	PubMed citation	Europe PMC

Last Modified

05 July 2016