In-Silico Structure Database (LMISSD)
Common Name
DGDG(26:2(5Z,9E)/20:1(13E))
Systematic Name
1-(5Z,9E-hexacosadienoyl),2-(13E-eicosenoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019JZH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1082.784475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
DMIZZFKZEDMVCO-JLLZNOFLSA-N
InChi (Click to copy)
InChI=1S/C61H110O15/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-52(63)71-46-49(74-53(64)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)47-72-60-59(70)57(68)55(66)51(76-60)48-73-61-58(69)56(67)54(65)50(45-62)75-61/h14,16,28-29,35,37,49-51,54-62,65-70H,3-13,15,17-27,30-34,36,38-48H2,1-2H3/b16-14+,29-28+,37-35-/t49-,50-,51-,54+,55+,56?,57?,58?,59?,60-,61-/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(CCCCCCCCCCC/C=C/CCCCCC)=O)COC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O