EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:194450 - (5Z,8Z)-octadecadienoate

ChEBI IDCHEBI:194450
ChEBI Name(5Z,8Z)-octadecadienoate
Stars
ASCII Name(5Z,8Z)-octadecadienoate
DefinitionAn octadecadienoate that is the conjugate base of (5Z,8Z)-octadecadienoic acid, resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified9 March 2023
Submitterlaimo
DownloadsMolfile
FormulaC18H31O2
Net Charge-1
Average Mass279.444
Monoisotopic Mass279.23295
SMILESCCCCCCCCC/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,19,20)/p-1/b11-10-,14-13-
InChIKeyUQQPKQIHIFHHKO-XVTLYKPTSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(5Z,8Z)-octadecadienoate (CHEBI:194450) is a octadecadienoate (CHEBI:25626)
(5Z,8Z)-octadecadienoate (CHEBI:194450) is conjugate base of (5Z,8Z)-octadecadienoic acid (CHEBI:194480)
Incoming Relation(s)
(5Z,8Z)-octadecadienoic acid (CHEBI:194480) is conjugate acid of (5Z,8Z)-octadecadienoate (CHEBI:194450)
IUPAC Name 
(5Z,8Z)-octadeca-5,8-dienoate
Synonyms  Source
sebaleateSUBMITTER
sebaleic acid anionSUBMITTER
sebaleic acid(1−)ChEBI
(5Z,8Z)-octadecadienoic acid(1−)ChEBI
(5Z,8Z)-octadecadienoic acid anionChEBI
(Z,8)-octadeca-5,8-dienoateChEBI
UniProt Name  Source
(5Z,8Z)-octadecadienoateUniProt
Citations