Terminology Service for NFDI4Health
12-[(9Z)-octadecenoyloxy]octadecanoic acid
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http://purl.obolibrary.org/obo/CHEBI_137082
A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 12-hydroxyoctadecanoic acid.
Term info
Label
12-[(9Z)-octadecenoyloxy]octadecanoic acid
Synonyms
- 12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoic acid
Subsets
3_STAR
charge
0
formula
C36H68O4
has obo namespace
chebi_ontology
has related synonym
12-(oleoyloxy)stearic acid, 12-(9Z-octadecenoyloxy)-octadecanoic acid, oleoyl-12-hydroxystearate ester, FAHFA(18:1(9Z)/12-O-18:0), 12-OAHSA
id
CHEBI:137082
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)/b14-13-
inchikey
OCHJVQODRYVDAA-YPKPFQOOSA-N
mass
564.924
monoisotopicmass
564.51176
smiles
C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)O)CCCCCC)=C\CCCCCCCC