In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(11Z)/17:1(9Z)/17:1(9Z))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(9Z-heptadecenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL030491PV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
840.757075
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
PARXUFLMWBNKJC-HIEYTQGOSA-N
InChi (Click to copy)
InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h19,22-24,26-27,47,50,53H,4-18,20-21,25,28-46,48-49,51-52H2,1-3H3/b22-19-,26-23-,27-24-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC