In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/38:0/18:2(9E,11E))
Systematic Name
1-nonatriacontanoyl-2-octatriacontanoyl-3-(9E,11E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301LJDD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1461.440590
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
BUEBYSROUZTQTO-WELRWXNLSA-N
InChi (Click to copy)
InChI=1S/C98H188O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-50-51-53-55-57-59-61-63-65-67-70-73-76-79-82-85-88-91-97(100)103-94-95(93-102-96(99)90-87-84-81-78-75-72-69-27-24-21-18-15-12-9-6-3)104-98(101)92-89-86-83-80-77-74-71-68-66-64-62-60-58-56-54-52-49-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,27,69,95H,4-20,22-23,25-26,28-68,70-94H2,1-3H3/b24-21+,69-27+/t95-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O