In-Silico Structure Database (LMISSD)
Common Name
DGDG(18:1(4E)/14:0)
Systematic Name
1-(4E-octadecenoyl),2-tetradecanoyl-3-3-O-(6'-O-α-D-galactosyl-β-D-galactosyl)-sn-glycerol
LM ID
LMGL05019GTK
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)
CLDAKMMZKFHABR-AFFKYNLGSA-N
InChi (Click to copy)
InChI=1S/C47H86O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)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/h23,25,35-37,40-48,51-56H,3-22,24,26-34H2,1-2H3/b25-23+/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(CCCCCCCCCCCCC)=O)COC(CC/C=C/CCCCCCCCCCCCC)=O