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CHEBI:137086 - 13-[(9Z)-hexadecenoyloxy]octadecanoic acid

ChEBI IDCHEBI:137086
ChEBI Name13-[(9Z)-hexadecenoyloxy]octadecanoic acid
Stars
ASCII Name13-[(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 13-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H64O4
Net Charge0
Average Mass536.882
Monoisotopic Mass536.48046
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O4/c1-3-5-7-8-9-10-11-12-13-17-20-23-27-31-34(37)38-32(28-24-6-4-2)29-25-21-18-15-14-16-19-22-26-30-33(35)36/h10-11,32H,3-9,12-31H2,1-2H3,(H,35,36)/b11-10-
InChIKeyFHXCZZFHUCAQAA-KHPPLWFESA-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)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) has functional parent 13-hydroxyoctadecanoic acid (CHEBI:136406)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) has functional parent palmitoleic acid (CHEBI:28716)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) is a fatty acid ester (CHEBI:35748)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) is a monocarboxylic acid (CHEBI:25384)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) is conjugate acid of 13-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136315)
Incoming Relation(s)
13-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136315) is conjugate base of 13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086)
IUPAC Name 
13-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoic acid
Synonyms  Source
13-(palmitoleoyloxy)stearic acidChEBI
FAHFA(16:1(9Z)/13-O-18:0)LIPID MAPS
13-POHSALIPID MAPS
13-(9Z-hexadecenoyloxy)-octadecanoic acidLIPID MAPS
Manual XrefsDatabases
LMFA07011057LIPID MAPS
Citations