EMBL-EBI | Chemical Biology Resources | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:760816 - 1,3-di-(9Z,12Z-octadecadienoyl)-2-(9-hexadecanoyloxy-octadecanoyl)-glycerol

Default Structure
ChEBI IDCHEBI:760816
ChEBI Name1,3-di-(9Z,12Z-octadecadienoyl)-2-(9-hexadecanoyloxy-octadecanoyl)-glycerol
Stars
DefinitionA triglyceride estolide in which the acyl group at positions 1 and 3 are both linoleoyl (9Z,12Z-octadecadienoyl), while that at position 2 is specified as 9-PAHSA (9-hexadecanoyloxy-octadecanoyl).
Last Modified9 September 2026
Submitternhn
DownloadsMolfile
FormulaC73H132O8
Net Charge0
Average Mass1137.851
Monoisotopic Mass1136.99222
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCC(CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C73H132O8/c1-5-9-13-17-21-24-27-30-32-35-37-40-44-50-56-62-70(74)78-66-69(67-79-71(75)63-57-51-45-41-38-36-33-31-28-25-22-18-14-10-6-2)81-73(77)65-59-53-47-49-55-61-68(60-54-48-43-20-16-12-8-4)80-72(76)64-58-52-46-42-39-34-29-26-23-19-15-11-7-3/h21-22,24-25,30-33,68-69H,5-20,23,26-29,34-67H2,1-4H3/b24-21-,25-22-,32-30-,33-31-
InChIKeyWAKNJAUSDYRKOK-NAQJMEDSSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-di-(9Z,12Z-octadecadienoyl)-2-(9-hexadecanoyloxy-octadecanoyl)-glycerol (CHEBI:760816) is a triglyceride estolide (CHEBI:760738)
Synonym  Source
TG-EST 18:2(9Z,12Z)/9-PAHSA/18:2(9Z,12Z)SUBMITTER
UniProt Name  Source
1,3-di-(9Z,12Z-octadecadienoyl)-2-(9-hexadecanoyloxy-octadecanoyl)-glycerolUniProt
Citations