In-Silico Structure Database (LMISSD)
Common Name
TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:1(9Z)/14:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-pentadecenoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL0301GOIL
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)
WFIOQZXSAPTDRK-FKUHHCEDSA-N
InChi (Click to copy)
InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-25,27-28,33,36,49H,4-6,8-9,11-15,18,21-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,20-17-,25-24-,28-27-,36-33-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O