In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(4E)/20:2(11Z,14Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(4E-octadecenoyl)-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL0301H05I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SMXOAHDCEINHIH-KFPWQRPCSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,38,41,47-48,50-51,60H,4-6,8-9,11-15,18,21-24,27,30,32,34-37,39-40,42-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,41-38-,50-47-,51-48+/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O