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CHEBI:136303 - 13-[(9Z)-octadecenoyloxy]octadecanoate

ChEBI IDCHEBI:136303
ChEBI Name13-[(9Z)-octadecenoyloxy]octadecanoate
Stars
ASCII Name13-[(9Z)-octadecenoyloxy]octadecanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 13-[(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(CCCCC)CCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C36H68O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h12-13,34H,3-11,14-33H2,1-2H3,(H,37,38)/p-1/b13-12-
InChIKeyRCTXOTTXFKSGGU-SEYXRHQNSA-M
ChEBI Ontology
Outgoing Relation(s)
13-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136303) is a monocarboxylic acid anion (CHEBI:35757)
13-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136303) is conjugate base of 13-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137083)
Incoming Relation(s)
13-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137083) is conjugate acid of 13-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136303)
IUPAC Name 
13-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate
Synonyms  Source
oleoyl-13-hydroxystearate ester(1−)SUBMITTER
FAHFA(18:1(9Z)/13-O-18:0)(1−)SUBMITTER
13-OAHSA(1−)ChEBI
13-(oleoyloxy)stearateChEBI
UniProt Name  Source
13-(9Z-octadecenoyloxy)-octadecanoateUniProt
Citations