In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-tetradecanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0304907U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.741425
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
MXVRIAHQPGGUOI-IBYQALKCSA-N
InChi (Click to copy)
InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29-30,33,36,49,52,55H,4-6,8-9,11-15,17-18,21-22,25,27-28,31-32,34-35,37-48,50-51,53-54H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,30-29-,36-33-,52-49-/t55-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC