In-Silico Structure Database (LMISSD)
Common Name
DGDG(13:0/18:2(9E,11E))
Systematic Name
1-tridecanoyl,2-(9E,11E-octadecadienoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019FTA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.565375
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
FXRHFWDNPAYXGS-RMORTWLKSA-N
InChi (Click to copy)
InChI=1S/C46H82O15/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-38(49)59-34(31-56-37(48)28-26-24-22-20-14-12-10-8-6-4-2)32-57-45-44(55)42(53)40(51)36(61-45)33-58-46-43(54)41(52)39(50)35(30-47)60-46/h13,15-17,34-36,39-47,50-55H,3-12,14,18-33H2,1-2H3/b15-13+,17-16+/t34-,35-,36-,39+,40+,41?,42?,43?,44?,45-,46-/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(CCCCCCC/C=C/C=C/CCCCCC)=O)COC(CCCCCCCCCCCC)=O