Glycoprotein site
Show PDB Carb

β-D-Neup5Ac3F

PDB CCD Name: 3-FLUOROSIALIC ACID
PDB CCD ID: FSI
MoPCI carbohydrate ID: OHCO2_f_o_NAC_gol
InChI: 1S/C11H16FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18H,2H2,1H3,(H,13,15)/t4-,5-,6-,7-,8-,9-,11+/m1/s1
InChIKey: GNLNTWQMUPLXNF-RISWTRDCSA-N
OHCO2_f_o_NAC_gol.svg
Cremer-Pople puckering
Chair Boat Skew Half-chair Envelop
4C1 0 14B 0 1S3 0 1H2 0 1E 0
1C4 2 B14 0 3S1 0 2H1 0 E1 0
25B 0 5S1 0 2H3 0 2E 0
B25 0 1S5 0 3H2 0 E2 0
36B 0 6S2 0 3H4 0 3E 0
B36 0 2S6 0 4H3 0 E3 0
4H5 0 4E 0
5H4 0 E4 0
5H6 0 5E 2
6H5 0 E5 0
6H1 0 6E 0
1H6 0 E6 0

Molecular modelling of Carbohydrate ring puckering

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