EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137084 - 9-[(9Z)-hexadecenoyloxy]octadecanoic acid

ChEBI IDCHEBI:137084
ChEBI Name9-[(9Z)-hexadecenoyloxy]octadecanoic acid
Stars
ASCII Name9-[(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 9-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H64O4
Net Charge0
Average Mass536.882
Monoisotopic Mass536.48046
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O
InChIInChI=1S/C34H64O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h12-13,32H,3-11,14-31H2,1-2H3,(H,35,36)/b13-12-
InChIKeyVCXRHEIVUHPWLL-SEYXRHQNSA-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)
9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084) has functional parent 9-hydroxyoctadecanoic acid (CHEBI:136638)
9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084) has functional parent palmitoleic acid (CHEBI:28716)
9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084) is a fatty acid ester (CHEBI:35748)
9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084) is a monocarboxylic acid (CHEBI:25384)
9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084) is conjugate acid of 9-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136309)
Incoming Relation(s)
9-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136309) is conjugate base of 9-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137084)
IUPAC Name 
9-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoic acid
Synonyms  Source
9-(palmitoleoyloxy)stearic acidChEBI
9-(9Z-hexadecenoyloxy)-octadecanoic acidLIPID MAPS
9-POHSALIPID MAPS
FAHFA(16:1(9Z)/9-O-18:0)LIPID MAPS
Manual XrefsDatabases
LMFA07011053LIPID MAPS
Citations