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CHEBI:231098 - (5E,8E,11E)-13-[(2S,3S)-3-Pentylthiiran-2-yl]trideca-5,8,11-trienoic acid

ChEBI IDCHEBI:231098
ChEBI Name(5E,8E,11E)-13-[(2S,3S)-3-Pentylthiiran-2-yl]trideca-5,8,11-trienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2S
Net Charge0
Average Mass336.541
Monoisotopic Mass336.21230
SMILESCCCCCC1SC1C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O2S/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4+,9-7+,13-10+
InChIKeyFUMNQBDBOXEMAE-JFGLUDJCSA-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)
(5E,8E,11E)-13-[(2S,3S)-3-Pentylthiiran-2-yl]trideca-5,8,11-trienoic acid (CHEBI:231098) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,8E,11E)-13-(3-pentylthiiran-2-yl)trideca-5,8,11-trienoic acid
Manual XrefsDatabases
64884725ChemSpider