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CHEBI:86136 - (5Z,9Z,12Z)-octadecatrienoic acid

Default Structure
ChEBI IDCHEBI:86136
ChEBI Name(5Z,9Z,12Z)-octadecatrienoic acid
Stars
ASCII Name(5Z,9Z,12Z)-octadecatrienoic acid
DefinitionAn octadecatrienoic acid having three double bonds located at positions 5, 9 and 12 (the all-cis-isomer).
Last Modified22 June 2015
SubmitterSteve
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-URPRIDOGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Pinus koraiensis (ncbitaxon:88728) - PubMed (21953622)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(5Z,9Z,12Z)-octadecatrienoic acid (CHEBI:86136) has role antineoplastic agent (CHEBI:35610)
(5Z,9Z,12Z)-octadecatrienoic acid (CHEBI:86136) has role plant metabolite (CHEBI:76924)
(5Z,9Z,12Z)-octadecatrienoic acid (CHEBI:86136) is a octadecatrienoic acid (CHEBI:25633)
Incoming Relation(s)
(5Z,9Z,12Z)-octadecatrienoyl-containing glycerolipid (CHEBI:88238) has functional parent (5Z,9Z,12Z)-octadecatrienoic acid (CHEBI:86136)
(5Z,9Z,12Z)-octadecatrienoyl group (CHEBI:85916) is substituent group from (5Z,9Z,12Z)-octadecatrienoic acid (CHEBI:86136)
IUPAC Name 
(5Z,9Z,12Z)-octadeca-5,9,12-trienoic acid
Synonyms  Source
5Z,9Z,12Z-octadecatrienoic acidLIPID MAPS
C18:3n-6,9,13LIPID MAPS
cis,cis,cis-5,9,12-Octadecatrienoic acidChemIDplus
all-cis-octadeca-5,9,12-trienoic acidChEBI
Pinolenic acidLIPID MAPS
Manual XrefsDatabases
CPD-14869MetaCyc
LMFA01030344LIPID MAPS
Pinolenic_acidWikipedia
Registry NumbersSources
Reaxys:1912698Reaxys
CAS:16833-54-8ChemIDplus
Citations