In-Silico Structure Database (LMISSD)
Common Name
DGDG(29:0/16:1(9Z))
Systematic Name
1-nonacosanoyl,2-(9Z-hexadecenoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019J7X
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1072.800125
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
UEHCMOOSMGQMHB-VZTKLMEUSA-N
InChi (Click to copy)
InChI=1S/C60H112O15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-51(62)70-45-48(73-52(63)43-41-39-37-35-33-30-16-14-12-10-8-6-4-2)46-71-59-58(69)56(67)54(65)50(75-59)47-72-60-57(68)55(66)53(64)49(44-61)74-60/h14,16,48-50,53-61,64-69H,3-13,15,17-47H2,1-2H3/b16-14-/t48-,49-,50-,53+,54+,55?,56?,57?,58?,59-,60-/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\CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O