EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:8638 - (9Z,11E,13Z)-octadecatrienoic acid

Default Structure
ChEBI IDCHEBI:8638
ChEBI Name(9Z,11E,13Z)-octadecatrienoic acid
Stars
ASCII Name(9Z,11E,13Z)-octadecatrienoic acid
DefinitionA 9,11,13-octadecatrienoic acid having its double bonds in cis, trans and cis configurations, respectively. It has been isolated from pomegranate (Punica granatum).
Last Modified9 November 2015
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCC/C=C\C=C\C=C/CCCCCCCC(=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/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-
InChIKeyCUXYLFPMQMFGPL-BGDVVUGTSA-N
Wikipedia
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)
(9Z,11E,13Z)-octadecatrienoic acid (CHEBI:8638) has role antineoplastic agent (CHEBI:35610)
(9Z,11E,13Z)-octadecatrienoic acid (CHEBI:8638) has role plant metabolite (CHEBI:76924)
(9Z,11E,13Z)-octadecatrienoic acid (CHEBI:8638) is a 9,11,13-octadecatrienoic acid (CHEBI:38382)
Incoming Relation(s)
(9Z,11E,13Z)-octadeca-9,11,13-trienoyl-containing glycerolipid (CHEBI:88259) has functional parent (9Z,11E,13Z)-octadecatrienoic acid (CHEBI:8638)
(9Z,11E,13Z)-octadeca-9,11,13-trienoyl group (CHEBI:86283) is substituent group from (9Z,11E,13Z)-octadecatrienoic acid (CHEBI:8638)
IUPAC Name 
(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid
Synonyms  Source
9c,11t,13c-18:3ChEBI
9c,11t,13c-linolenic acidChEBI
9cis,11trans,13cis-octadecatrienoic acidChEBI
9-cis,11-trans,13-cis-octadecatrienoic acidChEBI
C18:3 n-5 cis, 7 trans, 9 cisChEBI
cis-9,trans-11,cis-13-Octadecatrienoic acidKEGG COMPOUND
Manual XrefsDatabases
C00001236KNApSAcK
C08364KEGG COMPOUND
HMDB0030963HMDB
LMFA01030146LIPID MAPS
Punicic_acidWikipedia
Registry NumbersSources
Reaxys:1726550Reaxys
CAS:544-72-9KEGG COMPOUND
CAS:544-72-9ChemIDplus
Citations