In-Silico Structure Database (LMISSD)
Common Name
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301HMJM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.751990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MDKFQYLWNPEPSF-OIHPODSYSA-N
InChi (Click to copy)
InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,31,33-34,38,40-41,43,47,50,60H,4-8,10-11,13-15,22-24,30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O