In-Silico Structure Database (LMISSD)
Common Name
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)/16:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-hexadecanoyl-sn-glycerol
LM ID
LMGL0301HNOG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.751990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
WTOORQXHCGVJGS-NPBCWCSKSA-N
InChi (Click to copy)
InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25,27-28,30-34,38-39,41-42,47-48,50-51,60H,4-7,9-10,12-15,18,21-24,26,29,35-37,40,43-46,49,52-59H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-28+,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O