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CHEBI:230167 - (Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid

ChEBI IDCHEBI:230167
ChEBI Name(Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O3S
Net Charge0
Average Mass366.567
Monoisotopic Mass366.22287
SMILESCCCCCC(O)/C=C/C1CC2CC(S2)C1C/C=C/CCCC(=O)O
InChIInChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+
InChIKeyOVGWMUWIRHGGJP-RTYMFESYSA-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)
(Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid (CHEBI:230167) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Manual XrefsDatabases
19099281ChemSpider