In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(2E,4E)/20:4(5Z,8Z,11Z,13E)/11:0)
Systematic Name
1-(2E,4E-octadecadienoyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301CWS1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VQCPFBNIYFRQOL-LXCFDPOLSA-N
InChi (Click to copy)
InChI=1S/C52H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-29-27-24-22-20-17-14-11-8-5-2/h19,21,23,25,28,30,34,36-37,39,42,45,49H,4-18,20,22,24,26-27,29,31-33,35,38,40-41,43-44,46-48H2,1-3H3/b21-19+,25-23-,30-28-,37-34-,39-36+,45-42+/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O