L-ascorbate

Config Rule :

% 'L-ascorbate'


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

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

Smiles String :

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

'L-ascorbate'

Fischer Diagram :

Terminal :

% 'L-ascorbate'

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