In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL03049DWA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
856.694475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
ICXLMQVSMPRZLI-YAQTUCBFSA-N
InChi (Click to copy)
InChI=1S/C57H92O5/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-36-39-42-45-48-51-57(59)62-55(53-60-52-49-46-43-40-37-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-33-31-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-31,34-36,38,42,45,49,52,55H,4-7,9-10,12-15,18,21-24,28,32-33,37,39-41,43-44,46-48,50-51,53-54H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,36-34-,38-35-,45-42-,52-49-/t55-/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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCC