In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/28:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-octacosanoyl-sn-glycerol
LM ID
LMGL0301A5PP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1060.939790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GEYPZCFOPSDHCI-JRTWFQJWSA-N
InChi (Click to copy)
InChI=1S/C70H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-39-40-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-41-38-31-29-26-23-20-17-14-11-8-5-2/h17,20,24,26-27,29,38,41,46,49,55,58,67H,4-16,18-19,21-23,25,28,30-37,39-40,42-45,47-48,50-54,56-57,59-66H2,1-3H3/b20-17-,27-24-,29-26-,41-38-,49-46-,58-55-/t67-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O