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CHEBI:137085 - 12-[(9Z)-hexadecenoyloxy]octadecanoic acid

ChEBI IDCHEBI:137085
ChEBI Name12-[(9Z)-hexadecenoyloxy]octadecanoic acid
Stars
ASCII Name12-[(9Z)-hexadecenoyloxy]octadecanoic acid
DefinitionA fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the hydroxy group of 12-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H64O4
Net Charge0
Average Mass536.882
Monoisotopic Mass536.48046
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O4/c1-3-5-7-9-10-11-12-13-14-15-20-23-27-31-34(37)38-32(28-24-8-6-4-2)29-25-21-18-16-17-19-22-26-30-33(35)36/h11-12,32H,3-10,13-31H2,1-2H3,(H,35,36)/b12-11-
InChIKeyXSYATLPMKFNWBI-QXMHVHEDSA-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)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) has functional parent 12-hydroxyoctadecanoic acid (CHEBI:85208)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) has functional parent palmitoleic acid (CHEBI:28716)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) is a fatty acid ester (CHEBI:35748)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) is a monocarboxylic acid (CHEBI:25384)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) is conjugate acid of 12-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136312)
Incoming Relation(s)
12-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136312) is conjugate base of 12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085)
IUPAC Name 
12-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoic acid
Synonyms  Source
FAHFA(16:1(9Z)/12-O-18:0)LIPID MAPS
12-POHSALIPID MAPS
12-(9Z-hexadecenoyloxy)-octadecanoic acidLIPID MAPS
Manual XrefsDatabases
LMFA07011056LIPID MAPS
Citations