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CHEBI:180181 - 5Z,9Z,12E-octadecatrienoic acid

ChEBI IDCHEBI:180181
ChEBI Name5Z,9Z,12E-octadecatrienoic acid
Stars
Last Modified23 February 2022
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-RLCBDCDRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5Z,9Z,12E-octadecatrienoic acid (CHEBI:180181) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(5Z,9Z,12E)-octadeca-5,9,12-trienoic acid
Manual XrefsDatabases
LMFA01030343LIPID MAPS
4471919ChemSpider