Calculation of the conformation of glycosphingolipids. 1. Beta-D-glucosyl-N-(2-D-hydroxyoctadecanoyl)-D-dihydrosphingosine (glucosyl-ceramide) and alpha-D-N-acetylneuraminyl-(2----3)-beta-D-galactose.
The conformation of a glucosyl-ceramide, beta-D-galactosyl-N-(2-D-hydroxyoctadecanoyl)-D-dihydrosphingos in e, and of the disaccharide, N-acetylneuraminyl-galactose have been predicted by energy minimization techniques including an orbital force field approach. The predictions have been shown to be in excellent agreement with the results of X-ray single crystal analysis and structures postulated from nuclear magnetic resonance methods and have confirmed the utility of the computational approach to the study of glycosphingolipids.
C H
CH
Wynn
A
A
Marsden
B
B
Robson
D002236:Carbohydrate Conformation; D002554:Cerebrosides; D003201:Computers; D003461:Crystallography; D004187:Disaccharides; D005963:Glucosylceramides; D006028:Glycosphingolipids; D009682:Magnetic Resonance Spectroscopy; D013816:Thermodynamics
D002554:Cerebrosides; D004187:Disaccharides; D005963:Glucosylceramides; D006028:Glycosphingolipids; C049368:glucosyl-N-(2-hydroxyoctadecanoyl)dihydrosphingosine; C049367:N-acetylneuraminyl-(2-3)-galactose