Terminology Service for NFDI4Health
JSON

13-[(9Z)-octadecenoyloxy]octadecanoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_136303

A 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.

Term info

Label

13-[(9Z)-octadecenoyloxy]octadecanoate

Synonyms
  • 13-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
13-{[(9Z)-octadec-9-enoyl]oxy}octadecanoate [ IUPAC ]

charge

-1

formula

C36H67O4

has obo namespace

chebi_ontology

has related synonym

oleoyl-13-hydroxystearate ester(1-), 13-(oleoyloxy)stearate, 13-OAHSA(1-), 13-(9Z-octadecenoyloxy)-octadecanoate, FAHFA(18:1(9Z)/13-O-18:0)(1-)

id

CHEBI:136303

inchi

InChI=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-

inchikey

RCTXOTTXFKSGGU-SEYXRHQNSA-M

mass

563.916

monoisotopicmass

563.50448

smiles

C(\CCCCCCCC(=O)OC(CCCCCCCCCCCC(=O)[O-])CCCCC)=C\CCCCCCCC