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CHEBI:760814 - 1,3-di-(9Z,12Z-octadecadienoyl)-2-(5-hexadecanoyloxy-octadecanoyl)-glycerol

Default Structure
ChEBI IDCHEBI:760814
ChEBI Name1,3-di-(9Z,12Z-octadecadienoyl)-2-(5-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 5-PAHSA (5-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)CCCC(CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C73H132O8/c1-5-9-13-17-21-25-29-32-34-37-40-44-48-52-56-62-70(74)78-66-69(67-79-71(75)63-57-53-49-45-41-38-35-33-30-26-22-18-14-10-6-2)81-73(77)65-59-61-68(60-55-51-47-43-39-28-24-20-16-12-8-4)80-72(76)64-58-54-50-46-42-36-31-27-23-19-15-11-7-3/h21-22,25-26,32-35,68-69H,5-20,23-24,27-31,36-67H2,1-4H3/b25-21-,26-22-,34-32-,35-33-
InChIKeyFOGMNGVJJJUZNB-AQDAXRMHSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-di-(9Z,12Z-octadecadienoyl)-2-(5-hexadecanoyloxy-octadecanoyl)-glycerol (CHEBI:760814) is a triglyceride estolide (CHEBI:760738)
Synonym  Source
TG-EST 18:2(9Z,12Z)/5-PAHSA/18:2(9Z,12Z)SUBMITTER
UniProt Name  Source
1,3-di-(9Z,12Z-octadecadienoyl)-2-(5-hexadecanoyloxy-octadecanoyl)-glycerolUniProt
Citations