In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/17:1(9Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL030499V5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
876.757075
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
WBOSITVRRCPUAB-OCSLBVIWSA-N
InChi (Click to copy)
InChI=1S/C58H100O5/c1-4-7-10-13-16-19-22-25-28-30-31-34-37-40-43-46-49-52-58(60)63-56(54-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-62-57(59)51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,24-29,31,34,40,43,50,53,56H,4-15,17-18,20-23,30,32-33,35-39,41-42,44-49,51-52,54-55H2,1-3H3/b19-16-,27-24-,28-25-,29-26-,34-31-,43-40-,53-50-/t56-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC