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CHEBI:760815 - 1,3-di-(9Z,12Z-octadecadienoyl)-2-(7-hexadecanoyloxy-octadecanoyl)-glycerol

Default Structure
ChEBI IDCHEBI:760815
ChEBI Name1,3-di-(9Z,12Z-octadecadienoyl)-2-(7-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 7-PAHSA (7-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)CCCCCC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C73H132O8/c1-5-9-13-17-21-25-28-31-33-36-38-42-46-50-56-62-70(74)78-66-69(67-79-71(75)63-57-51-47-43-39-37-34-32-29-26-22-18-14-10-6-2)81-73(77)65-59-53-55-61-68(60-54-49-45-41-24-20-16-12-8-4)80-72(76)64-58-52-48-44-40-35-30-27-23-19-15-11-7-3/h21-22,25-26,31-34,68-69H,5-20,23-24,27-30,35-67H2,1-4H3/b25-21-,26-22-,33-31-,34-32-
InChIKeyHSPPCBVRTOWWJH-CNAUCHKGSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-di-(9Z,12Z-octadecadienoyl)-2-(7-hexadecanoyloxy-octadecanoyl)-glycerol (CHEBI:760815) is a triglyceride estolide (CHEBI:760738)
Synonym  Source
TG-EST 18:2(9Z,12Z)/7-PAHSA/18:2(9Z,12Z)SUBMITTER
UniProt Name  Source
1,3-di-(9Z,12Z-octadecadienoyl)-2-(7-hexadecanoyloxy-octadecanoyl)-glycerolUniProt
Citations