2-keto-3-deoxy-D-arabino-heptulosonate-7-phosphate

Synonyms :

• 3-deoxy-D-arabino-heptulosonate-7-phosphate
• DAHP

Config Rule :

% '2-keto-3-deoxy-D-arabino-heptulosonate-7-phosphate'


config('2-keto-3-deoxy-D-arabino-heptulosonate-7-phosphate',[
        chain([
                carboxyl,
                keto,
                car(3,hyd&&hyd),
                car(4,hydroxyl&&hyd),
                car(5,hyd&&hydroxyl),
                car(6,hyd&&hydroxyl),
                car(7,hyd&&hyd&&phosphate)])]).

Smiles String :

[C](=[O])([O-])[C](=[O])[CH2][C@2H]([OH])[C@2H]([C@2H]([CH2][O][P](=[O])([O-])[O-])[OH])[OH]

Terminal :

% '2-keto-3-deoxy-D-arabino-heptulosonate-7-phosphate'

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