In-Silico Structure Database (LMISSD)
Common Name
TG(22:2(13Z,16Z)/24:1(15Z)/36:0)
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-(15Z-tetracosenoyl)-3-hexatriacontanoyl-sn-glycerol
LM ID
LMGL0301HDCX
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)
OGPBEYWBKJJQCU-VEBLOYICSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-72-75-78-84(87)90-81-82(80-89-83(86)77-74-71-68-65-62-59-56-53-50-33-30-27-24-21-18-15-12-9-6-3)91-85(88)79-76-73-70-67-64-61-58-55-52-48-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,82H,4-17,19-20,22-25,28,31-81H2,1-3H3/b21-18-,29-26-,30-27-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O