7-(methylsulfinyl)heptylamine (CHEBI:91155)

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ChEBI Name	7-(methylsulfinyl)heptylamine

ChEBI ID	CHEBI:91155

Definition	A primary amino compound that is heptylamine in which one of the methyl hydrogens at position 7 has been replaced by a methylsulfinyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H19NOS

Net Charge

Average Mass

177.309

Monoisotopic Mass

177.11874

InChI

InChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3

InChIKey

NEMIGFQIONIZCH-UHFFFAOYSA-N

SMILES

C(CCCCS(C)=O)CCN

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

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	7-(methylsulfinyl)heptylamine (CHEBI:91155) has role plant metabolite (CHEBI:76924) 7-(methylsulfinyl)heptylamine (CHEBI:91155) is a primary amino compound (CHEBI:50994) 7-(methylsulfinyl)heptylamine (CHEBI:91155) is a sulfoxide (CHEBI:22063)

IUPAC Name

7-(methanesulfinyl)heptan-1-amine

Synonyms	Sources
7-(methylsulfinyl)-1-aminoheptane	ChEBI
7-MeSO-heptyl-NH2	ChEBI

Registry Number	Type	Source
28063960	Reaxys Registry Number	Reaxys

Citation	Type	Source
25457500	PubMed citation	Europe PMC

Last Modified

05 July 2016