In-Silico Structure Database (LMISSD)
Common Name
DGDG(22:2(13Z,16Z)/28:0)
Systematic Name
1-(13Z,16Z-docosadienoyl),2-octacosanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019I34
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1140.862725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
YHJPYBXFHBECDL-HRZLHBAZSA-N
InChi (Click to copy)
InChI=1S/C65H120O15/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-57(68)78-53(50-75-56(67)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)51-76-64-63(74)61(72)59(70)55(80-64)52-77-65-62(73)60(71)58(69)54(49-66)79-65/h12,14,18,20,53-55,58-66,69-74H,3-11,13,15-17,19,21-52H2,1-2H3/b14-12-,20-18-/t53-,54-,55-,58+,59+,60?,61?,62?,63?,64-,65-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O