malonate

Config Rule :

% malonate


config(malonate,[
        chain([
                carboxyl(1),
                methandiyl(2),
                carboxyl(3)])]).

config(malonate,[
        chain([
                carboxyl(1),
                methandiyl(2),
                carboxyl(3)])]).

Smiles String :

[C@2H2]([C](=[O])[O-])[C](=[O])[O-]

malonate

Fischer Diagram :

Terminal :

% malonate

c(1,12,(0,nonchiral))-[o(1,nil)?,c(2,right)~,o(2,nil)?],
c(2,12,(0,nonchiral))-[c(1,left)~,c(3,right)~,h(2,up)~,h(1,down)~],
c(3,12,(0,nonchiral))-[c(2,left)~,o(3,nil)?,o(4,nil)?],
h(1,1,(0,nonchiral))-[c(2,up)~],
h(2,1,(0,nonchiral))-[c(2,down)~],
o(1,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(3,16,(-5.0E-01,nonchiral))-[c(3,nil)?],
o(4,16,(-5.0E-01,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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