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CHEBI:760744 - 1-(5-hexadecanoyloxy-octadecanoyl)-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol

Default Structure
ChEBI IDCHEBI:760744
ChEBI Name1-(5-hexadecanoyloxy-octadecanoyl)-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol
Stars
DefinitionA triglyceride estolide in which the acyl group at positions 1 is specified as 5-PAHSA (5-hexadecanoyloxy-octadecanoyl), while those at positions 2 and 3 are both linoleoyl (9Z,12Z-octadecadienoyl) groups.
Last Modified9 September 2026
Submitternhn
DownloadsMolfile
FormulaC73H132O8
Net Charge0
Average Mass1137.851
Monoisotopic Mass1136.99222
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCC(CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
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(81-73(77)64-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2)67-79-71(75)65-59-61-68(60-55-51-47-43-39-28-24-20-16-12-8-4)80-72(76)63-57-53-49-45-41-36-31-27-23-19-15-11-7-3/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-/t68?,69-/m0/s1
InChIKeyBZPNCZAVHKDYQY-VCUYKOMCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(5-hexadecanoyloxy-octadecanoyl)-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol (CHEBI:760744) is a triglyceride estolide (CHEBI:760738)
Synonyms  Source
1-(5-(palmitoyloxy)-stearoyl)-2,3-dilinoleoyl-sn-glycerolSUBMITTER
TG 16:0-(5-O-18:0)/18:2(9Z,12Z)/18:2(9Z,12Z)SUBMITTER
TG-EST 5-PAHSA/18:2/18:2SUBMITTER
UniProt Name  Source
1-(5-hexadecanoyloxy-octadecanoyl)-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerolUniProt
Citations