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CHEBI:136315 - 13-[(9Z)-hexadecenoyloxy]octadecanoate

ChEBI IDCHEBI:136315
ChEBI Name13-[(9Z)-hexadecenoyloxy]octadecanoate
Stars
ASCII Name13-[(9Z)-hexadecenoyloxy]octadecanoate
DefinitionA mnocarboxylic acid anion that is the conjugate base of 13-[(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(CCCCC)CCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C34H64O4/c1-3-5-7-8-9-10-11-12-13-17-20-23-27-31-34(37)38-32(28-24-6-4-2)29-25-21-18-15-14-16-19-22-26-30-33(35)36/h10-11,32H,3-9,12-31H2,1-2H3,(H,35,36)/p-1/b11-10-
InChIKeyFHXCZZFHUCAQAA-KHPPLWFESA-M
ChEBI Ontology
Outgoing Relation(s)
13-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136315) is a monocarboxylic acid anion (CHEBI:35757)
13-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136315) is conjugate base of 13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086)
Incoming Relation(s)
13-[(9Z)-hexadecenoyloxy]octadecanoic acid (CHEBI:137086) is conjugate acid of 13-[(9Z)-hexadecenoyloxy]octadecanoate (CHEBI:136315)
IUPAC Name 
13-{[(9Z)-hexadec-9-enoyl]oxy}octadecanoate
Synonyms  Source
FAHFA(16:1(9Z)/13-O-18:0)(1−)SUBMITTER
13-POHSA(1−)ChEBI
UniProt Name  Source
13-(9Z-hexadecenoyloxy)-octadecanoateUniProt
Citations