In-Silico Structure Database (LMISSD)
Common Name
DGDG(18:2(9E,12E)/36:0)
Systematic Name
1-(9E,12E-octadecadienoyl),2-hexatriacontanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019HD3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1196.925325
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
VAFYURHXMZHDMX-RCRMFDAYSA-N
InChi (Click to copy)
InChI=1S/C69H128O15/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-61(72)82-57(54-79-60(71)51-49-47-45-43-41-39-37-18-16-14-12-10-8-6-4-2)55-80-68-67(78)65(76)63(74)59(84-68)56-81-69-66(77)64(75)62(73)58(53-70)83-69/h12,14,18,37,57-59,62-70,73-78H,3-11,13,15-17,19-36,38-56H2,1-2H3/b14-12+,37-18+/t57-,58-,59-,62+,63+,64?,65?,66?,67?,68-,69-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O