In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/26:0/15:1(9Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-hexacosanoyl-3-(9Z-pentadecenoyl)-sn-glycerol
LM ID
LMGL0301H32N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1002.861540
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OFMOTCJYNOOPFY-GJWHRTSKSA-N
InChi (Click to copy)
InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-36-38-40-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-37-35-30-28-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26,28,35,37,41,44,50,53,63H,4-7,9-10,12-16,19,22-25,27,29-34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b11-8-,20-17-,21-18-,28-26-,37-35-,44-41-,53-50-/t63-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O