In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(6Z,9Z,12Z,15Z)/30:0/20:4(7E,10E,13E,16E))
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-triacontanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301D43I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1070.924140
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VLZUFVICVSTYSJ-ROFNSRKSSA-N
InChi (Click to copy)
InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-40-29-26-23-20-17-14-11-8-5-2/h9,11-12,14,18,20-21,23,27,29,40,42,46,48-49,51,68H,4-8,10,13,15-17,19,22,24-26,28,30-39,41,43-45,47,50,52-67H2,1-3H3/b12-9-,14-11+,21-18-,23-20+,40-29+,42-27-,49-46+,51-48-/t68-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O