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12-[(9Z)-octadecenoyloxy]octadecanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_136302

A 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.

Term info

Label

12-[(9Z)-octadecenoyloxy]octadecanoate

Synonyms
  • 12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate [ IUPAC ]

charge

-1

formula

C36H67O4

has obo namespace

chebi_ontology

has related synonym

oleoyl-12-hydroxystearate ester(1-), 12-OAHSA(1-), FAHFA(18:1(9Z)/12-O-18:0)(1-), 12-(oleoyloxy)stearate, 12-(9Z-octadecenoyloxy)-octadecanoate

id

CHEBI:136302

inchi

InChI=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-

inchikey

OCHJVQODRYVDAA-YPKPFQOOSA-M

mass

563.916

monoisotopicmass

563.50448

smiles

C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)[O-])CCCCCC)=C\CCCCCCCC