In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/24:0/20:4(7E,10E,13E,16E))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-tetracosanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301F1FJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1014.861540
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VFOPPIWAQVJOHT-SPXVBZOVSA-N
InChi (Click to copy)
InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h11,14,18,20-21,23,29-30,35-36,39,41-42,44,48,51,64H,4-10,12-13,15-17,19,22,24-28,31-34,37-38,40,43,45-47,49-50,52-63H2,1-3H3/b14-11+,21-18-,23-20+,35-29+,36-30+,42-39-,44-41+,51-48-/t64-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O