In-Silico Structure Database (LMISSD)
Common Name
TG(14:1(9Z)/37:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-heptatriacontanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL03019506
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1143.018040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SWPJCAFNSXFYJE-CYYIOYOCSA-N
InChi (Click to copy)
InChI=1S/C76H134O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-55-58-61-64-67-70-76(79)82-73(71-80-74(77)68-65-62-59-56-53-21-18-15-12-9-6-3)72-81-75(78)69-66-63-60-57-54-51-49-47-45-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,45,47,51,54,60,63,73H,4-7,9-10,12-14,16,19,21-24,26,28-44,46,48-50,52-53,55-59,61-62,64-72H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,47-45-,54-51-,63-60-/t73-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O