In-Silico Structure Database (LMISSD)
Common Name
TG(17:2(9Z,12Z)/11:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-undecanoyl-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301A7HM
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)
ALGGXSRYGUFRNK-ZJKYRLCUSA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-33-36-38-41-44-50(53)56-47-48(57-51(54)45-42-39-34-18-15-12-9-6-3)46-55-49(52)43-40-37-35-32-30-28-24-22-20-17-14-11-8-5-2/h14,16-17,19,22-25,27,29,31,33,48H,4-13,15,18,20-21,26,28,30,32,34-47H2,1-3H3/b17-14-,19-16-,24-22-,25-23-,29-27-,33-31+/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O