In-Silico Structure Database (LMISSD)
Common Name
DGDG(14:0/18:1(6Z))
Systematic Name
1-tetradecanoyl,2-(6Z-octadecenoyl)-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019FVF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.596675
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
VCKAWOPDJVRGCR-CTGNYHKUSA-N
InChi (Click to copy)
InChI=1S/C47H86O15/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-39(50)60-35(32-57-38(49)29-27-25-23-21-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h20,22,35-37,40-48,51-56H,3-19,21,23-34H2,1-2H3/b22-20-/t35-,36-,37-,40+,41+,42?,43?,44?,45?,46-,47-/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(CCCC/C=C\CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O