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CHEBI:91156 - 9-(methylsulfinyl)nonanoic acid

ChEBI IDCHEBI:91156
ChEBI Name9-(methylsulfinyl)nonanoic acid
Stars
DefinitionA monocarboxylic acid that is nonanoic acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
Last Modified5 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC10H20O3S
Net Charge0
Average Mass220.334
Monoisotopic Mass220.11332
SMILESCS(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H20O3S/c1-14(13)9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyXZYIQKMSOAQJCG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
9-(methylsulfinyl)nonanoic acid (CHEBI:91156) has functional parent nonanoic acid (CHEBI:29019)
9-(methylsulfinyl)nonanoic acid (CHEBI:91156) has role plant metabolite (CHEBI:76924)
9-(methylsulfinyl)nonanoic acid (CHEBI:91156) is a monocarboxylic acid (CHEBI:25384)
9-(methylsulfinyl)nonanoic acid (CHEBI:91156) is a sulfoxide (CHEBI:22063)
IUPAC Name 
9-(methanesulfinyl)nonanoic acid
Synonym  Source
8-MeSO-octyl-CO2HChEBI
Registry NumbersSources
Reaxys:28063958Reaxys
Citations