EMBL-EBI | Chemical Biology Resources | ChEBI

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

CHEBI:760854 - 2-(9Z,12Z-octadecadienoyl)-3-(9-hexadecanoyloxy-octadecanoyl)-sn-glycerol

Default Structure
ChEBI IDCHEBI:760854
ChEBI Name2-(9Z,12Z-octadecadienoyl)-3-(9-hexadecanoyloxy-octadecanoyl)-sn-glycerol
Stars
DefinitionA diglyceride estolide in which the acyl groups at positions 2 and 3 are specified as linoleoyl (9Z,12Z-octadecadienoyl) and 9-PAHSA (9-hexadecanoyloxy-octadecanoyl) respectively.
Last Modified9 September 2026
Submitternhn
DownloadsMolfile
FormulaC55H102O7
Net Charge0
Average Mass875.414
Monoisotopic Mass874.76256
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCC(CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C55H102O7/c1-4-7-10-13-16-18-20-22-23-25-27-29-32-37-43-48-55(59)62-52(49-56)50-60-53(57)46-41-38-33-35-40-45-51(44-39-34-30-15-12-9-6-3)61-54(58)47-42-36-31-28-26-24-21-19-17-14-11-8-5-2/h16,18,22-23,51-52,56H,4-15,17,19-21,24-50H2,1-3H3/b18-16-,23-22-/t51?,52-/m1/s1
InChIKeyNYQIWJSTZJXHJS-NHLSRVFTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(9Z,12Z-octadecadienoyl)-3-(9-hexadecanoyloxy-octadecanoyl)-sn-glycerol (CHEBI:760854) is a diglyceride estolide (CHEBI:760752)
Synonym  Source
DG-EST 0:0/18:2(9Z,12Z)/9-PAHSASUBMITTER
UniProt Name  Source
2-(9Z,12Z-octadecadienoyl)-3-(9-hexadecanoyloxy-octadecanoyl)-sn-glycerolUniProt
Citations