D-glucurono-3,6-lactone

Synonyms :

• L-gulono-1,4-lactone
• D-glucuronolactone
• D-gamma-glucuronolactone

Config Rule :

% 'D-glucurono-3,6-lactone'


config('D-glucurono-3,6-lactone',[
        ring([
                oxy,
                keto(6),
                car(5,hydroxyl&&hyd),
                car(4,hydroxyl&&hyd),
                car(3,(car(2,hyd&&hydroxyl&&aldehyde(1))~)&&hyd)])]).

Smiles String :

[C@2H]-1([C]([O][C@2H]([C@1H]-1[OH])[C@2H]([OH])[CH]=[O])=[O])[OH]

'D-glucurono-3,6-lactone'

Terminal :

% 'D-glucurono-3,6-lactone'

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