In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/38:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-octatriacontanoyl-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0304A72H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1229.163975
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
BERFVUBFOISVHK-PWXJQARZSA-N
InChi (Click to copy)
InChI=1S/C83H152O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-53-56-59-62-65-68-71-74-77-83(85)88-81(80-87-82(84)76-73-70-67-64-61-58-55-52-30-27-24-21-18-15-12-9-6-3)79-86-78-75-72-69-66-63-60-57-54-51-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,51,54-55,58,61,64,75,78,81H,4-17,19-20,22-26,28-29,31-50,52-53,56-57,59-60,62-63,65-74,76-77,79-80H2,1-3H3/b21-18-,30-27-,54-51-,58-55-,64-61+,78-75-/t81-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC