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CHEBI:136282 - 9-[(9Z)-octadecenoyloxy]octadecanoate

ChEBI IDCHEBI:136282
ChEBI Name9-[(9Z)-octadecenoyloxy]octadecanoate
Stars
ASCII Name9-[(9Z)-octadecenoyloxy]octadecanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 9-[(9Z)-octadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified19 May 2017
Submitternhn
DownloadsMolfile
FormulaC36H67O4
Net Charge-1
Average Mass563.928
Monoisotopic Mass563.50448
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
InChIInChI=1S/C36H68O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h14-15,34H,3-13,16-33H2,1-2H3,(H,37,38)/p-1/b15-14-
InChIKeyPGKKGBQMNNEIHV-PFONDFGASA-M
ChEBI Ontology
Outgoing Relation(s)
9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282) is a 9-(acyloxy)-stearate(1−) (CHEBI:228230)
9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282) is a monocarboxylic acid anion (CHEBI:35757)
9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282) is conjugate base of 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996)
Incoming Relation(s)
9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) is conjugate acid of 9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282)
IUPAC Name 
9-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate
Synonyms  Source
oleoyl-9-hydroxystearate ester(1−)SUBMITTER
9-OAHSA(1−)ChEBI
9-(oleoyloxy)stearateChEBI
UniProt Name  Source
9-(9Z-octadecenoyloxy)-octadecanoateUniProt
Citations