5-enolpyruvylshikimate-3-phosphate

Synonyms :

• 3-enolpyruvyl-shikimate-5-phosphate
• 5-enolpyruvyl-shikimate-3-phosphate

Config Rule :

% '5-enolpyruvylshikimate-3-phosphate'


config('5-enolpyruvylshikimate-3-phosphate',[
        ring([
                car(1,carboxyl(7)),
                car(6,hyd&&hyd),
                car(5,(oxy(3,car(8,carboxyl&& (methylene~~))~)~)&&hyd),
                car(4,hyd&&hydroxyl),
                car(3,hyd&&phosphate),
                car(2,hyd)~~])]).

Smiles String :

[CH]=1([C@2H]([O][P@2](=[O])([O-])[O-])[C@2H]([OH])[C@2H]([C@2H2][C]=1[C](=[O])_
[O-])[O][C]([C](=[O])[O-])=[CH2])

'5-enolpyruvylshikimate-3-phosphate'

Fischer Diagram :

Terminal :

% '5-enolpyruvylshikimate-3-phosphate'

c(1,12,(0,nonchiral))-[c(6,left)~,c(2,right)~~,c(7,nil)~],
c(2,12,(0,nonchiral))-[c(1,left)~~,c(3,right)~,h(9,nil)~],
c(3,12,(0,chiral))-[c(2,left)~,c(4,right)~,h(8,up)~,o(2,down)~],
c(4,12,(0,chiral))-[c(3,left)~,c(5,right)~,h(6,up)~,o(1,down)~],
c(5,12,(0,chiral))-[c(4,left)~,c(6,right)~,o(3,up)~,h(3,down)~],
c(6,12,(0,nonchiral))-[c(5,left)~,c(1,right)~,h(1,up)~,h(2,down)~],
c(7,12,(0,nonchiral))-[o(4,nil)?,o(5,nil)?,c(1,nil)~],
c(8,12,(0,nonchiral))-[c(10,nil)~,c(9,nil)~~,o(3,nil)~],
c(9,12,(0,nonchiral))-[h(4,nil)~,h(5,nil)~,c(8,nil)~~],
c(10,12,(0,nonchiral))-[o(6,nil)?,o(7,nil)?,c(8,nil)~],
h(1,1,(0,nonchiral))-[c(6,down)~],
h(2,1,(0,nonchiral))-[c(6,up)~],
h(3,1,(0,nonchiral))-[c(5,up)~],
h(4,1,(0,nonchiral))-[c(9,nil)~],
h(5,1,(0,nonchiral))-[c(9,nil)~],
h(6,1,(0,nonchiral))-[c(4,down)~],
h(7,1,(0,nonchiral))-[o(1,nil)~],
h(8,1,(0,nonchiral))-[c(3,down)~],
h(9,1,(0,nonchiral))-[c(2,nil)~],
o(1,16,(0,nonchiral))-[h(7,nil)~,c(4,up)~],
o(2,16,(0,nonchiral))-[p(1,right)~,c(3,up)~],
o(3,16,(0,nonchiral))-[c(8,nil)~,c(5,down)~],
o(4,16,(-5.0E-01,nonchiral))-[c(7,nil)?],
o(5,16,(-5.0E-01,nonchiral))-[c(7,nil)?],
o(6,16,(-5.0E-01,nonchiral))-[c(10,nil)?],
o(7,16,(-5.0E-01,nonchiral))-[c(10,nil)?],
o(8,16,(-6.666666666666666E-01,nonchiral))-[p(1,left)?],
o(9,16,(-6.666666666666666E-01,nonchiral))-[p(1,up)?],
o(10,16,(-6.666666666666666E-01,nonchiral))-[p(1,down)?],
p(1,31,(0,nonchiral))-[o(2,left)~,o(8,right)?,o(10,up)?,o(9,down)?]

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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