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CHEBI:44526 - (10E,12Z)-octadecadienoic acid

Default Structure
ChEBI IDCHEBI:44526
ChEBI Name(10E,12Z)-octadecadienoic acid
Stars
ASCII Name(10E,12Z)-octadecadienoic acid
DefinitionAn octadeca-10,12-dienoic acid having (10E,12Z)-configuration.
Secondary ChEBI IDsCHEBI:38395, CHEBI:44522
Last Modified24 May 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCC/C=C\C=C\CCCCCCCCC(=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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
InChIKeyGKJZMAHZJGSBKD-NMMTYZSQSA-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)
(10E,12Z)-octadecadienoic acid (CHEBI:44526) is a octadeca-10,12-dienoic acid (CHEBI:36331)
(10E,12Z)-octadecadienoic acid (CHEBI:44526) is conjugate acid of (10E,12Z)-octadecadienoate (CHEBI:77200)
Incoming Relation(s)
9(R)-HPODE (CHEBI:63331) has functional parent (10E,12Z)-octadecadienoic acid (CHEBI:44526)
9(S)-HPODE (CHEBI:34498) has functional parent (10E,12Z)-octadecadienoic acid (CHEBI:44526)
(10E,12Z)-octadecadienoate (CHEBI:77200) is conjugate base of (10E,12Z)-octadecadienoic acid (CHEBI:44526)
IUPAC Name 
(10E,12Z)-octadeca-10,12-dienoic acid
Synonyms  Source
10,12-trans,cis-octadecanoic acidChEBI
10-trans-12-cis-CLAChEBI
10-trans-12-cis-conjugated linoleic acidChEBI
10-trans-12-cis-linoleic acidChEBI
10-trans-12-cis-octadecadienoic acidChEBI
C18:2, n-6,8 cis,transChEBI
Manual XrefsDatabases
DB04746DrugBank
LMFA01030125LIPID MAPS
ODDPDBeChem
Registry NumbersSources
Reaxys:1726562Reaxys