L-gulonate

Synonyms :

• L-gulonic acid

Config Rule :

% 'L-gulonate'


config('L-gulonate',[
        chain([
                carboxyl,
                car(2,hydroxyl&&hyd),
                car(3,hydroxyl&&hyd),
                car(4,hyd&&hydroxyl),
                car(5,hydroxyl&&hyd),
                hydroxymethyl])]).

Smiles String :

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

'L-gulonate'

Fischer Diagram :

Terminal :

% 'L-gulonate'

c(1,12,(0,nonchiral))-[o(6,nil)?,o(7,nil)?,c(2,down)~],
c(2,12,(0,chiral))-[o(1,left)~,h(1,right)~,c(1,up)~,c(3,down)~],
c(3,12,(0,chiral))-[o(2,left)~,h(3,right)~,c(2,up)~,c(4,down)~],
c(4,12,(0,chiral))-[h(5,left)~,o(3,right)~,c(3,up)~,c(5,down)~],
c(5,12,(0,chiral))-[o(4,left)~,h(7,right)~,c(4,up)~,c(6,down)~],
c(6,12,(0,nonchiral))-[h(9,left)~,h(10,right)~,c(5,up)~,o(5,down)~],
h(1,1,(0,nonchiral))-[c(2,left)~],
h(2,1,(0,nonchiral))-[o(1,nil)~],
h(3,1,(0,nonchiral))-[c(3,left)~],
h(4,1,(0,nonchiral))-[o(2,nil)~],
h(5,1,(0,nonchiral))-[c(4,right)~],
h(6,1,(0,nonchiral))-[o(3,nil)~],
h(7,1,(0,nonchiral))-[c(5,left)~],
h(8,1,(0,nonchiral))-[o(4,nil)~],
h(9,1,(0,nonchiral))-[c(6,right)~],
h(10,1,(0,nonchiral))-[c(6,left)~],
h(11,1,(0,nonchiral))-[o(5,nil)~],
o(1,16,(0,nonchiral))-[h(2,nil)~,c(2,right)~],
o(2,16,(0,nonchiral))-[h(4,nil)~,c(3,right)~],
o(3,16,(0,nonchiral))-[c(4,left)~,h(6,nil)~],
o(4,16,(0,nonchiral))-[h(8,nil)~,c(5,right)~],
o(5,16,(0,nonchiral))-[h(11,nil)~,c(6,up)~],
o(6,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(7,16,(-5.0E-01,nonchiral))-[c(1,nil)?]

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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