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CHEBI:86141 - (9Z,12E)-octadecadienoic acid

ChEBI IDCHEBI:86141
ChEBI Name(9Z,12E)-octadecadienoic acid
Stars
ASCII Name(9Z,12E)-octadecadienoic acid
DefinitionAn octadecadienoic acid having two double bonds located at positions 9 and 12 (the 9Z,12E-geoisomer).
Last Modified13 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCC/C=C/C/C=C\CCCCCCCC(=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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
InChIKeyOYHQOLUKZRVURQ-KQHSAVHASA-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)
(9Z,12E)-octadecadienoic acid (CHEBI:86141) is a octadecadienoic acid (CHEBI:25627)
Incoming Relation(s)
(9Z,12E)-octadecadienoyl-containing glycerolipid (CHEBI:88241) has functional parent (9Z,12E)-octadecadienoic acid (CHEBI:86141)
(9Z,12E)-octadecadienoyl group (CHEBI:85922) is substituent group from (9Z,12E)-octadecadienoic acid (CHEBI:86141)
IUPAC Name 
(9Z,12E)-octadeca-9,12-dienoic acid
Synonyms  Source
cis-9, trans-12-octadecadienoic acidLIPID MAPS
9Z,12E-octadecadienoic acidLIPID MAPS
C18:2n-6,9LIPID MAPS
18:2Δ9cis,12transMetaCyc
trans-Δ12 linoleic acidMetaCyc
Manual XrefsDatabases
LMFA01030121LIPID MAPS
CPD-8203MetaCyc
Registry NumbersSources
Reaxys:1727102Reaxys
CAS:2420-42-0ChemIDplus
Citations