beta-D-altro-3-heptulopyranose

Config Rule :

% 'beta-D-altro-3-heptulopyranose'


config('beta-D-altro-3-heptulopyranose',[
        ring([
                car(3,hydroxyl&& (car(2,hyd&&hydroxyl&&hydroxymethyl(1))~)),
                car(4,hyd&&hydroxyl),
                car(5,hyd&&hydroxyl),
                car(6,hyd&&hydroxyl),
                car(7,hyd&&hyd),
                oxy])]).

Smiles String :

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

'beta-D-altro-3-heptulopyranose'

Terminal :

% 'beta-D-altro-3-heptulopyranose'

c(1,12,(0,nonchiral))-[h(2,left)~,h(3,right)~,c(2,up)~,o(1,down)~],
c(2,12,(0,chiral))-[h(1,left)~,o(2,right)~,c(3,up)~,c(1,down)~],
c(3,12,(0,chiral))-[c(4,left)~,o(7,right)~,o(3,up)~,c(2,down)~],
c(4,12,(0,chiral))-[c(5,left)~,c(3,right)~,h(7,up)~,o(4,down)~],
c(5,12,(0,chiral))-[c(6,left)~,c(4,right)~,h(9,up)~,o(5,down)~],
c(6,12,(0,chiral))-[c(7,left)~,c(5,right)~,h(11,up)~,o(6,down)~],
c(7,12,(0,nonchiral))-[o(7,left)~,c(6,right)~,h(13,up)~,h(14,down)~],
h(1,1,(0,nonchiral))-[c(2,right)~],
h(2,1,(0,nonchiral))-[c(1,right)~],
h(3,1,(0,nonchiral))-[c(1,left)~],
h(4,1,(0,nonchiral))-[o(1,nil)~],
h(5,1,(0,nonchiral))-[o(2,nil)~],
h(6,1,(0,nonchiral))-[o(3,nil)~],
h(7,1,(0,nonchiral))-[c(4,down)~],
h(8,1,(0,nonchiral))-[o(4,nil)~],
h(9,1,(0,nonchiral))-[c(5,down)~],
h(10,1,(0,nonchiral))-[o(5,nil)~],
h(11,1,(0,nonchiral))-[c(6,down)~],
h(12,1,(0,nonchiral))-[o(6,nil)~],
h(13,1,(0,nonchiral))-[c(7,down)~],
h(14,1,(0,nonchiral))-[c(7,up)~],
o(1,16,(0,nonchiral))-[h(4,nil)~,c(1,up)~],
o(2,16,(0,nonchiral))-[c(2,left)~,h(5,nil)~],
o(3,16,(0,nonchiral))-[h(6,nil)~,c(3,down)~],
o(4,16,(0,nonchiral))-[h(8,nil)~,c(4,up)~],
o(5,16,(0,nonchiral))-[h(10,nil)~,c(5,up)~],
o(6,16,(0,nonchiral))-[h(12,nil)~,c(6,up)~],
o(7,16,(0,nonchiral))-[c(3,left)~,c(7,right)~]

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.

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