EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91155 - 7-(methylsulfinyl)heptylamine

ChEBI IDCHEBI:91155
ChEBI Name7-(methylsulfinyl)heptylamine
Stars
DefinitionA primary amino compound that is heptylamine in which one of the methyl hydrogens at position 7 has been replaced by a methylsulfinyl group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC8H19NOS
Net Charge0
Average Mass177.313
Monoisotopic Mass177.11874
SMILESCS(=O)CCCCCCCN
InChIInChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3
InChIKeyNEMIGFQIONIZCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
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)
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  Source
7-MeSO-heptyl-NH2ChEBI
7-(methylsulfinyl)-1-aminoheptaneChEBI
Registry NumbersSources
Reaxys:28063960Reaxys
Citations