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CHEBI:760809 - 1-(9-hexadecanoyloxy-octadecanoyl)-2,3-di-hexadecanoyl-sn-glycerol

Default Structure
ChEBI IDCHEBI:760809
ChEBI Name1-(9-hexadecanoyloxy-octadecanoyl)-2,3-di-hexadecanoyl-sn-glycerol
Stars
DefinitionA triglyceride estolide in which the acyl group at positions 1 is specified as 9-PAHSA (9-hexadecanoyloxy-octadecanoyl), while those at positions 2 and 3 are both hexadecanoyl groups.
Last Modified9 September 2026
Submitternhn
DownloadsMolfile
FormulaC69H132O8
Net Charge0
Average Mass1089.807
Monoisotopic Mass1088.99222
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCC(CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C69H132O8/c1-5-9-13-17-21-24-27-30-33-36-40-46-52-58-66(70)74-62-65(77-69(73)61-55-48-42-38-35-32-29-26-23-19-15-11-7-3)63-75-67(71)59-53-49-43-45-51-57-64(56-50-44-39-20-16-12-8-4)76-68(72)60-54-47-41-37-34-31-28-25-22-18-14-10-6-2/h64-65H,5-63H2,1-4H3/t64?,65-/m0/s1
InChIKeyMCINZHBIKJPDJR-MZOVCEAQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(9-hexadecanoyloxy-octadecanoyl)-2,3-di-hexadecanoyl-sn-glycerol (CHEBI:760809) is a triglyceride estolide (CHEBI:760738)
Synonym  Source
TG-EST 9-PAHSA/16:0/16:0SUBMITTER
UniProt Name  Source
1-(9-hexadecanoyloxy-octadecanoyl)-2,3-di-hexadecanoyl-sn-glycerolUniProt
Citations