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2007Hernández-Gay José Juan; Panza Luigi; Ronchetti Fiamma; Cañada F Javier; Compostella Federica; Jiménez-Barbero Jesús
The conformational behaviour of the C-glycosyl analogue of sulfatide studied by NMR in SDS micelles.
Carbohydrate research 2007;342(12-13):1966-73.
The conformational behaviour of sulfatide and its C-glycosyl analogue has been studied by using a combination of J and NOE data assisted by molecular mechanics calculations. There is a major exoanomeric conformation around the phi angle of both molecules with two or three conformers contributing to the equilibrium around psi. The MM3* calculations only provide a qualitative description of the actual population distribution. Despite this geometrical similarity, the quantitative analysis of the NOE intensities at a variety of mixing times indicates that the motion around the pseudoglycosidic linkages of the C-glycosyl analogue is faster than that for the natural compound.

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