3-phospho-D-glycerate

Synonyms :

• 3PG
• 3-phosphoglycerate
• 3-phosphoglyceric acid
• 3-phospho-D-glyceroyl phosphate

Config Rule :

% '3-phospho-D-glycerate'


config('3-phospho-D-glycerate',[
        top(carboxyl),
        center(car(2,hyd&&hydroxyl)),
        bottom(methylphosphate)]).

Smiles String :

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

Fischer Diagram :

Terminal :

% '3-phospho-D-glycerate'

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