In-Silico Structure Database (LMISSD)
Common Name
MGDG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-tetradecanoyl,2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019AK5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
774.528200
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
JXMKANJULRUVIJ-VPFZPUDFSA-N
InChi (Click to copy)
InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(48)54-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)36-52-40(47)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,38-39,42-46,49-51H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-37H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t38-,39-,42+,43?,44?,45-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[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(CCCCCCCCCCCCC)=O