In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/31:0/33:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-hentriacontanoyl-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL0301DUJU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1277.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FJKKZILDCFEYSE-RQDPHIKFSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-45-46-48-50-52-54-57-60-63-66-69-72-75-78-84(87)90-81-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)91-85(88)79-76-73-70-67-64-61-58-55-53-51-49-47-44-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,56,62,65,82H,4-17,19-20,22-26,28-55,57-61,63-64,66-81H2,1-3H3/b21-18-,56-27-,65-62-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O