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CHEBI:137102 - 5-[(9Z)-hexadecenoyloxy]octadecanoic acid

ChEBI IDCHEBI:137102
ChEBI Name5-[(9Z)-hexadecenoyloxy]octadecanoic acid
Stars
ASCII Name5-[(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 5-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H64O4
Net Charge0
Average Mass536.882
Monoisotopic Mass536.48046
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)O
InChIInChI=1S/C34H64O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,32H,3-12,14,16-31H2,1-2H3,(H,35,36)/b15-13-
InChIKeyHADGPAWFBKHJNM-SQFISAMPSA-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)
5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102) has functional parent 5-hydroxyoctadecanoic acid (CHEBI:136819)
5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102) has functional parent palmitoleic acid (CHEBI:28716)
5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102) is a fatty acid ester (CHEBI:35748)
5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102) is a monocarboxylic acid (CHEBI:25384)
5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102) is conjugate acid of 5-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136369)
Incoming Relation(s)
5-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136369) is conjugate base of 5-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137102)
IUPAC Name 
5-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoic acid
Synonyms  Source
5-(palmitoleoyloxy)stearic acidChEBI
5-(9Z-hexadecenoyloxy)-octadecanoic acidLIPID MAPS
FAHFA(16:1(9Z)/5-O-18:0)LIPID MAPS
5-POHSALIPID MAPS
Manual XrefsDatabases
LMFA07011050LIPID MAPS
Citations