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CHEBI:136312 - 12-[(9Z)-hexadecenoyloxy]octadecanoate

ChEBI IDCHEBI:136312
ChEBI Name12-[(9Z)-hexadecenoyloxy]octadecanoate
Stars
ASCII Name12-[(9Z)-hexadecenoyloxy]octadecanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 12-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified19 May 2017
Submitternhn
DownloadsMolfile
FormulaC34H63O4
Net Charge-1
Average Mass535.874
Monoisotopic Mass535.47318
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C34H64O4/c1-3-5-7-9-10-11-12-13-14-15-20-23-27-31-34(37)38-32(28-24-8-6-4-2)29-25-21-18-16-17-19-22-26-30-33(35)36/h11-12,32H,3-10,13-31H2,1-2H3,(H,35,36)/p-1/b12-11-
InChIKeyXSYATLPMKFNWBI-QXMHVHEDSA-M
ChEBI Ontology
Outgoing Relation(s)
12-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136312) is a monocarboxylic acid anion (CHEBI:35757)
12-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136312) is conjugate base of 12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085)
Incoming Relation(s)
12-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137085) is conjugate acid of 12-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136312)
IUPAC Name 
12-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoate
Synonyms  Source
FAHFA(16:1(9Z)/12-O-18:0)(1−)SUBMITTER
12-POHSA(1−)ChEBI
UniProt Name  Source
12-(9Z-hexadecenoyloxy)-octadecanoateUniProt
Citations