In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/11:0)
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301DX9S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
804.626790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GIVJHPMEIUNMFV-ZMTUMBPWSA-N
InChi (Click to copy)
InChI=1S/C52H84O6/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/h7-8,10-11,16-17,19-20,23-25,27-28,30,34,37,49H,4-6,9,12-15,18,21-22,26,29,31-33,35-36,38-48H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,25-23-,27-24-,30-28-,37-34-/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=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O