In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(7E,10E,13E,16E)/17:2(9Z,12Z)/11:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301GJKZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
DIMQQNZFKIYGFB-DDDNFBDVSA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-18-15-12-9-6-3)57-51(54)45-42-39-36-33-31-28-24-22-20-17-14-11-8-5-2/h10,13-14,17,19,21-22,24-26,29-30,48H,4-9,11-12,15-16,18,20,23,27-28,31-47H2,1-3H3/b13-10+,17-14-,21-19+,24-22-,26-25+,30-29+/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O