EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77222 - (6Z,9Z,12Z,15Z)-octadecatetraenoate

Default Structure
ChEBI IDCHEBI:77222
ChEBI Name(6Z,9Z,12Z,15Z)-octadecatetraenoate
Stars
ASCII Name(6Z,9Z,12Z,15Z)-octadecatetraenoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of (6Z,9Z,12Z,15Z)-octadecatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified11 October 2016
Submitterlaimo
DownloadsMolfile
FormulaC18H27O2
Net Charge-1
Average Mass275.412
Monoisotopic Mass275.20165
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-,13-12-
InChIKeyJIWBIWFOSCKQMA-LTKCOYKYSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222) has role plant metabolite (CHEBI:76924)
(6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222) is a octadecatetraenoate (CHEBI:78050)
(6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222) is conjugate base of all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389)
Incoming Relation(s)
(3S,6Z,9Z,12Z,15Z)-3-hydroxyoctadecatetraenoyl-CoA(4−) (CHEBI:234230) has functional parent (6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222)
all-cis-octadeca-6,9,12,15-tetraenoic acid (CHEBI:32389) is conjugate acid of (6Z,9Z,12Z,15Z)-octadecatetraenoate (CHEBI:77222)
IUPAC Name 
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Synonyms  Source
(18:4n3)ChEBI
C18:4(ω-3)(1−)SUBMITTER
all-cis-octadeca-6,9,12,15-tetraenoateChEBI
stearidonateChEBI
stearidonate (18:4n3)ChEBI
UniProt Name  Source
(6Z,9Z,12Z,15Z)-octadecatetraenoateUniProt