In-Silico Structure Database (LMISSD)
Common Name
MGDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/11:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl),2-undecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019D2C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
732.481250
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
MHQQCJQHICXNQO-QHOMEHSTSA-N
InChi (Click to copy)
InChI=1S/C42H68O10/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-26-28-30-37(44)49-33-35(51-38(45)31-29-27-24-12-10-8-6-4-2)34-50-42-41(48)40(47)39(46)36(32-43)52-42/h5,7,11,13,15-16,18-19,21-22,25-26,35-36,39-43,46-48H,3-4,6,8-10,12,14,17,20,23-24,27-34H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,22-21-,26-25-/t35-,36-,39+,40?,41?,42-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O