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CHEBI:86506 - (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid

ChEBI IDCHEBI:86506
ChEBI Name(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid
Stars
ASCII Name(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid
DefinitionA straight-chain polyunsaturated fatty acid composed of eighteen carbons and containing two double bonds, both with Z-geochemistry, at positions 9 and 12 as well as a triple bond at position 6.
Last Modified16 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESCCCCC/C=C\C/C=C\CC#CCCCCC(=O)O
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKeyUECZBRRJYAZMDX-HZJYTTRNSA-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)
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506) is a acetylenic fatty acid (CHEBI:25380)
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506) is a long-chain fatty acid (CHEBI:15904)
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506) is a olefinic fatty acid (CHEBI:53339)
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506) is a polyunsaturated fatty acid (CHEBI:26208)
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506) is a straight-chain fatty acid (CHEBI:59202)
Incoming Relation(s)
(9Z,12Z)-octadeca-9,12-dien-6-ynoyl-containing glycerolipid (CHEBI:88242) has functional parent (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506)
(9Z,12Z)-octadeca-9,12-dien-6-ynoyl group (CHEBI:86291) is substituent group from (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid (CHEBI:86506)
IUPAC Name 
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid
Synonyms  Source
9Z,12Z-Octadecadien-6-ynoic acidLIPID MAPS
all-cis-9,12-octadecadien-6-ynoic acidMetaCyc
Manual XrefsDatabases
LMFA01030734LIPID MAPS
CPD-12652MetaCyc
Registry NumbersSources
Reaxys:1912699Reaxys