9-(methylsulfinyl)nonanoic acid (CHEBI:91156)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	9-(methylsulfinyl)nonanoic acid

ChEBI ID	CHEBI:91156

Definition	A monocarboxylic acid that is nonanoic acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.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

C10H20O3S

Net Charge

Average Mass

220.330

Monoisotopic Mass

220.11332

InChI

InChI=1S/C10H20O3S/c1-14(13)9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3,(H,11,12)

InChIKey

XZYIQKMSOAQJCG-UHFFFAOYSA-N

SMILES

CS(CCCCCCCCC(O)=O)=O

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 acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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	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-CO₂H	ChEBI

Registry Number	Type	Source
28063958	Reaxys Registry Number	Reaxys

Citation	Type	Source
25457500	PubMed citation	Europe PMC

Last Modified

05 July 2016