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CHEBI:180179 - 2E,9Z,12Z-octadecatrienoic acid

ChEBI IDCHEBI:180179
ChEBI Name2E,9Z,12Z-octadecatrienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCC/C=C\C/C=C\CCCCC/C=C/C(=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/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-,17-16+
InChIKeyVCVCZNVYBRBLHO-YGLXTWLWSA-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)
2E,9Z,12Z-octadecatrienoic acid (CHEBI:180179) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(2E,9Z,12Z)-octadeca-2,9,12-trienoic acid
Manual XrefsDatabases
LMFA01030339LIPID MAPS
4471915ChemSpider