orotate

Config Rule :

% orotate


config(orotate,[
        ring([
                nit(1,hyd),
                car(2,carboxyl(7))~~,
                car(3,hyd),
                keto(4),
                nit(5,hyd),
                keto(6)])]).

config(orotate,[
        ring([
                nit(1,hyd),
                car(2,carboxyl(7))~~,
                car(3,hyd),
                keto(4),
                nit(5,hyd),
                keto(6)])]).

Smiles String :

[CH]-1(=[C]([NH][C]([NH][C]-1=[O])=[O])[C](=[O])[O-])

orotate

Fischer Diagram :

Terminal :

% orotate

c(2,12,(0,nonchiral))-[c(3,left)~~,n(1,right)~,c(7,nil)~],
c(3,12,(0,nonchiral))-[c(4,left)~,c(2,right)~~,h(2,nil)~],
c(4,12,(0,nonchiral))-[n(5,left)~,c(3,right)~,o(3,nil)~~],
c(6,12,(0,nonchiral))-[n(1,left)~,n(5,right)~,o(4,nil)~~],
c(7,12,(0,nonchiral))-[o(1,nil)?,o(2,nil)?,c(2,nil)~],
h(1,1,(0,nonchiral))-[n(1,nil)~],
h(2,1,(0,nonchiral))-[c(3,nil)~],
h(3,1,(0,nonchiral))-[n(5,nil)~],
n(1,14,(0,nonchiral))-[c(2,left)~,c(6,right)~,h(1,nil)~],
n(5,14,(0,nonchiral))-[c(6,left)~,c(4,right)~,h(3,nil)~],
o(1,16,(-5.0E-01,nonchiral))-[c(7,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(7,nil)?],
o(3,16,(0,nonchiral))-[c(4,nil)~~],
o(4,16,(0,nonchiral))-[c(6,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.

Back to Klotho's home page.