In-Silico Structure Database (LMISSD)
Common Name
TG(26:0/33:0/26:2(5E,9Z))
Systematic Name
1-hexacosanoyl-2-tritriacontanoyl-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301I0PU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1321.284090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VFPXSTJIFNZDSL-USYGZVBJSA-N
InChi (Click to copy)
InChI=1S/C88H168O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-41-42-43-44-45-46-49-52-55-58-61-64-67-70-73-76-79-82-88(91)94-85(83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-47-38-35-32-29-26-23-20-17-14-11-8-5-2)84-93-87(90)81-78-75-72-69-66-63-60-57-54-51-48-39-36-33-30-27-24-21-18-15-12-9-6-3/h56,59,68,71,85H,4-55,57-58,60-67,69-70,72-84H2,1-3H3/b59-56-,71-68+/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O