% '4-hydroxybutyric_acid_thiamine-pyrophosphate'


config('4-hydroxybutyric_acid_thiamine-pyrophosphate',[
        substituent('thiamin-2-yl-pyrophosphate'),
        substituent('4-hydroxybutyr-4-yl_acid'),
        linkage(from('thiamin-2-yl-pyrophosphate',car(9)),
                to('4-hydroxybutyr-4-yl_acid',car(4)),
                down,single)]).

%%%% Substituent Config Rules for compound '4-hydroxybutyric_acid_thiamine-pyrophosphate' %%%%

config('4-hydroxybutyr-4-yl_acid',[
        chain([
                car(2,carboxyl(1)&&hyd&&hyd),
                methandiyl(3),
                car(4,hyd&&hydroxyl)])]).

config('thiamin-2-yl-pyrophosphate',[
        substituent('2-methyl-4-amino-5-methandiyl-pyrimidine'),
        substituent('4-methyl-thiaz-2,5-diyl'),
        substituent('eth-1-yldiphosphate'),
        linkage(from('2-methyl-4-amino-5-methandiyl-pyrimidine',car(8)),
                to('4-methyl-thiaz-2,5-diyl',nit(3)),
                nil,single),
        linkage(from('4-methyl-thiaz-2,5-diyl',car(5)),
                to('eth-1-yldiphosphate',car(1)),
                right,single)]).

%%%% Substituent Config Rules for compound 'thiamin-2-yl-pyrophosphate' %%%%

config('2-methyl-4-amino-5-methandiyl-pyrimidine',[
        ring([
                nit(1)&,
                car(2,methyl(7))&,
                nit(3)&,
                car(4,amine)&,
                car(5,methandiyl(8))&,
                car(6,hyd)&])]).

config('4-methyl-thiaz-2,5-diyl',[
        ring([
                sul(1),
                car(2)~~,
                nit(3),
                car(4,methyl(6))~~,
                car(5)])]).

config('eth-1-yldiphosphate',[
        chain([
                car(1,hyd&&hyd),
                car(2,hyd&&hyd),
                diphosphate])]).