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CHEBI:136302 - 12-[(9Z)-octadecenoyloxy]octadecanoate

ChEBI IDCHEBI:136302
ChEBI Name12-[(9Z)-octadecenoyloxy]octadecanoate
Stars
ASCII Name12-[(9Z)-octadecenoyloxy]octadecanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 12-[(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(CCCCCC)CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C36H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h13-14,34H,3-12,15-33H2,1-2H3,(H,37,38)/p-1/b14-13-
InChIKeyOCHJVQODRYVDAA-YPKPFQOOSA-M
ChEBI Ontology
Outgoing Relation(s)
12-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136302) is a monocarboxylic acid anion (CHEBI:35757)
12-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136302) is conjugate base of 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082)
Incoming Relation(s)
12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) is conjugate acid of 12-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136302)
IUPAC Name 
12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate
Synonyms  Source
oleoyl-12-hydroxystearate ester(1−)SUBMITTER
FAHFA(18:1(9Z)/12-O-18:0)(1−)SUBMITTER
12-OAHSA(1−)ChEBI
12-(oleoyloxy)stearateChEBI
UniProt Name  Source
12-(9Z-octadecenoyloxy)-octadecanoateUniProt
Citations