CHEBI:137106 - 5-[(9Z)-octadecenoyloxy]octadecanoic acid

ChEBI IDCHEBI:137106
ChEBI Name5-[(9Z)-octadecenoyloxy]octadecanoic acid
Stars
ASCII Name5-[(9Z)-octadecenoyloxy]octadecanoic acid
DefinitionA fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-octadecenoic acid with the hydroxy group of 5-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC36H68O4
Net Charge0
Average Mass564.936
Monoisotopic Mass564.51176
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)O
InChIInChI=1S/C36H68O4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33-36(39)40-34(31-29-32-35(37)38)30-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,34H,3-15,18-33H2,1-2H3,(H,37,38)/b17-16-
InChIKeyFQZBGGYKEFIGPO-MSUUIHNZSA-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)-octadecenoyloxy]octadecanoic acid (CHEBI:137106) has functional parent 5-hydroxyoctadecanoic acid (CHEBI:136819)
5-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137106) has functional parent oleic acid (CHEBI:16196)
5-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137106) is a fatty acid ester (CHEBI:35748)
5-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137106) is a monocarboxylic acid (CHEBI:25384)
5-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137106) is conjugate acid of 5-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136389)
Incoming Relation(s)
5-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136389) is conjugate base of 5-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137106)
IUPAC Name 
5-{[(9Z)-octadec-9-enoyl]oxy}octadecanoic acid
Synonyms  Source
5-(oleoyloxy)stearic acidChEBI
FAHFA(18:1(9Z)/5-O-18:0)LIPID MAPS
5-(9Z-octadecenoyloxy)-octadecanoic acidLIPID MAPS
5-OAHSALIPID MAPS
Manual XrefsDatabases
LMFA07011058LIPID MAPS
Citations