Beta-D-glucopyranose-1-phosphate

MBS6023881 | Corilagin (1-O-Galloyl-3,6-hexahydroxydiphenol-b-D-Glucopyranose)
MBS6030140 | 1-[4-Chloro-3-(trifluoromethyl)phenyl]amino-1-deoxy-beta-D-glucopyranose Tetraacetate
MBS6030617 | 1,6-Anhydro-4-O-p-toluenesulfonyl-b-D-glucopyranose
MBS6031916 | 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose
MBS6032695 | 1,3,4,6-Tetra-O-acetyl-2-amino-2-deoxy-alpha-D-glucopyranose Hydrochloride
MBS6036643 | 1,2,3-Tri-O-methyl-a-D-glucopyranose
MBS6040655 | 1,2,3,4,6-Penta-trimethylsilyl Glucopyranose
MBS6041340 | 4,5,6-Tri-O-acetyl-a-D-Glucopyranose 1,2-(Ethyl Orthoacetate)
MBS6041908 | 2-Acetamido-4-fluoro-1,3,6-tri-O-acetyl-2,4-dideoxy-D-glucopyranose
MBS6049226 | 1,6-Di-O-acetyl-2,3,4-tri-O-benzyl-a,b-D-glucopyranose
MBS6051486 | 1,2,3,4-Tetra-O-benzoyl-D-glucopyranose-13C6
MBS6078970 | 1-[4-[[2-[(Methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino-1-deoxy-beta-D-glucopyranose
MBS6080681 | 1,2,3-Tri-O-benzoyl-4,6-dideoxy-4-iodo-a-L-glucopyranose
MBS6082045 | 1,6-Anhydro-2,4-di-O-p-toluenesulfonyl-b-D-glucopyranose
MBS6105517 | 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-b-D-glucopyranose
MBS6108005 | 1,2,3,4,6-Penta-O-galloyl-b-D-glucopyranose (PGG)
MBS6111005 | 2-Deoxy-2-N-phthalimido-1,3,4,6-tetra-O-acetyl-D-glucopyranose
MBS6112880 | 1-Thio-beta-D-glucopyranose 2,3,4,6-Tetraacetate
MBS6116810 | 1,6-Anhydro-b-D-glucopyranose (Levoglucosan)
MBS6118100 | 1-[4-[[2-[(Methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino-1-deoxy-2,3,4,6-tetraacetate-beta-D-glucopyranose

Accession Number : KLM0000172This work is released into the public domain; please see our release statement.

beta-d-glucopyranose-1-phosphate-3d.gif

 

% 'beta-D-glucopyranose-1-phosphate'


config('beta-D-glucopyranose-1-phosphate',[
        ring([
                oxy,
                anomeric(1,phosphate&&hyd;),
                car(2,hyd&&hydroxyl;),
                car(3,hydroxyl&&hyd;),
                car(4,hyd&&hydroxyl;),
                car(5,hydroxymethyl&&hyd;)])]).

 

Smiles String :

 

[C@2H]-1([O][C@2H]([C@2H]([OH])[C@2H]([C@2H]-1[OH])[OH])[C@2H2][OH])[O][P@2](=[_
O])([O-])[O-]

'beta-D-glucopyranose-1-phosphate'

Terminal :

% 'beta-D-glucopyranose-1-phosphate'

c(1,12,(0,chiral))-[c(2,left)~,o(1,right)~,o(2,up)~,h(1,down)~],
c(2,12,(0,chiral))-[c(3,left)~,c(1,right)~,h(2,up)~,o(3,down)~],
c(3,12,(0,chiral))-[c(4,left)~,c(2,right)~,o(4,up)~,h(4,down)~],
c(4,12,(0,chiral))-[c(5,left)~,c(3,right)~,h(6,up)~,o(5,down)~],
c(5,12,(0,chiral))-[o(1,left)~,c(4,right)~,c(6,up)~,h(8,down)~],
c(6,12,(0,nonchiral))-[h(9,left)~,h(10,right)~,o(6,up)~,c(5,down)~],
h(1,1,(0,nonchiral))-[c(1,up)~],
h(2,1,(0,nonchiral))-[c(2,down)~],
h(3,1,(0,nonchiral))-[o(3,nil)~],
h(4,1,(0,nonchiral))-[c(3,up)~],
h(5,1,(0,nonchiral))-[o(4,nil)~],
h(6,1,(0,nonchiral))-[c(4,down)~],
h(7,1,(0,nonchiral))-[o(5,nil)~],
h(8,1,(0,nonchiral))-[c(5,up)~],
h(9,1,(0,nonchiral))-[c(6,right)~],
h(10,1,(0,nonchiral))-[c(6,left)~],
h(11,1,(0,nonchiral))-[o(6,nil)~],
o(1,16,(0,nonchiral))-[c(1,left)~,c(5,right)~],
o(2,16,(0,nonchiral))-[p(1,right)~,c(1,down)~],
o(3,16,(0,nonchiral))-[h(3,nil)~,c(2,up)~],
o(4,16,(0,nonchiral))-[h(5,nil)~,c(3,down)~],
o(5,16,(0,nonchiral))-[h(7,nil)~,c(4,up)~],
o(6,16,(0,nonchiral))-[h(11,nil)~,c(6,down)~],
o(7,16,(-6.666666666666666E-01,nonchiral))-[p(1,left)?],
o(8,16,(-6.666666666666666E-01,nonchiral))-[p(1,up)?],
o(9,16,(-6.666666666666666E-01,nonchiral))-[p(1,down)?],
p(1,31,(0,nonchiral))-[o(2,left)~,o(7,right)?,o(9,up)?,o(8,down)?]

The Terminals for all the Config Rules are in Prolog Definite Clause Grammar (DCG) form.They can be checked in the Manual here.

The compound's PDB file can be seen here.