In-Silico Structure Database (LMISSD)
Common Name
TG(O-22:1(9Z)/29:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(9Z-docosenyl)-2-nonacosanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0302BH30
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1077.007475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
LXJCXYPWROTBBX-WAFQCPBDSA-N
InChi (Click to copy)
InChI=1S/C72H132O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-42-45-48-51-54-57-60-63-66-72(74)77-70(69-76-71(73)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3)68-75-67-64-61-58-55-52-49-46-43-41-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,41,43-44,50,53,70H,4-8,10-11,13-17,19-20,22-26,28-40,42,45-49,51-52,54-69H2,1-3H3/b12-9-,21-18-,43-41-,44-27-,53-50-/t70-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC