In-Silico Structure Database (LMISSD)
Common Name
DGDG(25:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-pentacosanoyl,2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019JQU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.753175
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
GPLTVHIFQFKHMN-NPZSXZGQSA-N
InChi (Click to copy)
InChI=1S/C62H106O15/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-28-30-32-34-36-38-40-42-44-53(64)72-47-50(75-54(65)45-43-41-39-37-35-33-31-29-26-22-20-18-16-14-12-10-8-6-4-2)48-73-61-60(71)58(69)56(67)52(77-61)49-74-62-59(70)57(68)55(66)51(46-63)76-62/h6,8,12,14,18,20,26,29,33,35,39,41,50-52,55-63,66-71H,3-5,7,9-11,13,15-17,19,21-25,27-28,30-32,34,36-38,40,42-49H2,1-2H3/b8-6-,14-12-,20-18-,29-26-,35-33-,41-39-/t50-,51-,52-,55+,56+,57?,58?,59?,60?,61-,62-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O