In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(6Z,9Z)/34:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-tetratriacontanoyl-3-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301C344
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1131.018040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CXXHGIKLGJSIRK-LQUGJKECSA-N
InChi (Click to copy)
InChI=1S/C75H134O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-51-54-57-60-63-66-69-75(78)81-72(70-79-73(76)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-29-26-23-20-17-14-11-8-5-2/h20,23,26-27,29,46-47,50,52,55-56,59,72H,4-19,21-22,24-25,28,30-45,48-49,51,53-54,57-58,60-71H2,1-3H3/b23-20+,29-26-,46-27-,50-47-,55-52-,59-56-/t72-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O