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CHEBI:191013 - 8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, (8z,11z)-

ChEBI IDCHEBI:191013
ChEBI Name8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, (8z,11z)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCCC1OC1C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6,10,13,18-19H,2-3,5,7-9,11-12,14-17H2,1H3,(H,21,22)/b6-4-,13-10-
InChIKeyZXBWLXDDSYHRTE-QGIBGKBZSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, (8z,11z)- (CHEBI:191013) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-8,11-dienoic acid
Manual XrefsDatabases
29341674ChemSpider