In-Silico Structure Database (LMISSD)
Common Name
TG(P-16:1(9Z)/14:0/22:1(13Z))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-tetradecanoyl-3-(13Z-docosenoyl)-sn-glycerol
LM ID
LMGL03049QI2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
842.772725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
QEMXLTQKFYFGMI-RODQMCFMSA-N
InChi (Click to copy)
InChI=1S/C55H102O5/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h20,23-24,26,47,50,53H,4-19,21-22,25,27-46,48-49,51-52H2,1-3H3/b23-20-,26-24-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC