In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,13E)/30:0)
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-triacontanoyl-sn-glycerol
LM ID
LMGL0301D3DX
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)
SQLLMKRHVIETKC-OCTKYGBSSA-N
InChi (Click to copy)
InChI=1S/C71H122O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-40-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,26-27,29,42,44,47-48,51,53,56,68H,4-8,10-11,13-17,19,22,24-25,28,30-41,43,45-46,49-50,52,54-55,57-67H2,1-3H3/b12-9-,21-18-,23-20+,29-26-,42-27-,47-44-,51-48-,56-53-/t68-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O