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CHEBI:230835 - 14-Fluoro-6-thiaheptadecanoic acid

ChEBI IDCHEBI:230835
ChEBI Name14-Fluoro-6-thiaheptadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31FO2S
Net Charge0
Average Mass306.487
Monoisotopic Mass306.20288
SMILESCCCC(F)CCCCCCCSCCCCC(=O)O
InChIInChI=1S/C16H31FO2S/c1-2-10-15(17)11-6-4-3-5-8-13-20-14-9-7-12-16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKeyWZMTZBLNUCAEPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
14-Fluoro-6-thiaheptadecanoic acid (CHEBI:230835) is a halo fatty acid (CHEBI:60692)
IUPAC Name 
5-(8-luoroundecylsulanyl)pentanoic acid
Manual XrefsDatabases
HMDB0244582HMDB
116721ChemSpider