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CHEBI:196171 - Columbinic acid

ChEBI IDCHEBI:196171
ChEBI NameColumbinic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCC/C=C\C/C=C\CC/C=C/CCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13+
InChIKeyHXQHFNIKBKZGRP-OXXZWVFOSA-N
ChEBI Ontology
Outgoing Relation(s)
Columbinic acid (CHEBI:196171) is a lipid (CHEBI:18059)
IUPAC Name 
(5E,9Z,12Z)-octadeca-5,9,12-trienoic acid
Manual XrefsDatabases
LMFA01030342LIPID MAPS
8599132ChemSpider