L-histidine

Synonyms :

• L-HISTIDINE
• His
• H

Config Rule :

config('L-histidine',[
        substituent(aminoacid_L_backbone),
        substituent(methandiylimidazolyl),
        linkage(from(aminoacid_L_backbone,car(1)),
                to(methandiylimidazolyl,car(1)),
                down,single)]).

%%%% Substituent Config Rules for compound 'L-histidine' %%%%

config(aminoacid_L_backbone,[
        left(amino),
        right(hyd),
        top(carboxyl),
        center(car(1))]).

config(methandiylimidazolyl,[
        substituent(methandiyl),
        substituent(imidazoyl),
        linkage(from(methandiyl,car(1)),
                to(imidazoyl,car(1)),
                nil,single)]).

%%%% Substituent Config Rules for compound methandiylimidazolyl %%%%

config(imidazoyl,[
        ring([
                car(1)&,
                nit(1,hyd)&,
                car(2,hyd)&,
                nit(2)&,
                car(3,hyd)&])]).

Smiles String :

[C@2H]([NH3+])([C](=[O])[O-])[C@2H2]-[c]1([nH][cH][n][cH]1)

'L-histidine'

Terminal :

% 'L-histidine'

c(1,12,(0,chiral))-[n(1,left)~,h(1,right)~,c(2,up)~,c(3,down)~],
c(2,12,(0,nonchiral))-[o(1,nil)?,o(2,nil)?,c(1,down)~],
c(3,12,(0,nonchiral))-[c(4,left)~,h(5,right)~,c(1,up)~,h(6,down)~],
c(4,12,(0,nonchiral))-[c(3,right)~,c(6,flat)&,n(2,flat)&],
c(5,12,(0,nonchiral))-[h(8,nil)~,n(2,flat)&,n(3,flat)&],
c(6,12,(0,nonchiral))-[h(9,nil)~,c(4,flat)&,n(3,flat)&],
h(1,1,(0,nonchiral))-[c(1,left)~],
h(2,1,(0,nonchiral))-[n(1,right)~],
h(3,1,(0,nonchiral))-[n(1,down)~],
h(4,1,(0,nonchiral))-[n(1,up)~],
h(5,1,(0,nonchiral))-[c(3,left)~],
h(6,1,(0,nonchiral))-[c(3,up)~],
h(7,1,(0,nonchiral))-[n(2,nil)~],
h(8,1,(0,nonchiral))-[c(5,nil)~],
h(9,1,(0,nonchiral))-[c(6,nil)~],
n(1,14,(1,nonchiral))-[h(2,left)~,c(1,right)~,h(3,up)~,h(4,down)~],
n(2,14,(0,nonchiral))-[h(7,nil)~,c(4,flat)&,c(5,flat)&],
n(3,14,(0,nonchiral))-[c(6,flat)&,c(5,flat)&],
o(1,16,(-5.0E-01,nonchiral))-[c(2,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(2,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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