L-dehydroascorbate

Config Rule :

% 'L-dehydroascorbate'


config('L-dehydroascorbate',[
        ring([
                keto(1),
                keto(2),
                keto(3),
                car(4,(car(5,hyd&&hydroxyl&&hydroxymethyl)~)&&hyd),
                oxy])]).

config('L-dehydroascorbate',[
        ring([
                keto(1),
                keto(2),
                keto(3),
                car(4,(car(5,hyd&&hydroxyl&&hydroxymethyl)~)&&hyd),
                oxy])]).

Smiles String :

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

'L-dehydroascorbate'

Fischer Diagram :

Terminal :

% 'L-dehydroascorbate'

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