D-aspartate

Synonyms :

• D-ASPARTATE

Config Rule :

config('D-aspartate',[
        substituent(aminoacid_D_backbone),
        substituent(methandiylcarboxyl),
        linkage(from(aminoacid_D_backbone,car(1)),
                to(methandiylcarboxyl,car(1)),
                up,single)]).

%%%% Substituent Config Rules for compound 'D-aspartate' %%%%

config(aminoacid_D_backbone,[
        center(car(1)),
        left(amino),
        right(hyd),
        bottom(carboxyl)]).

config(methandiylcarboxyl,[
        top(car(1,hyd&&hyd)),
        bottom(carboxyl)]).

Smiles String :

[C@2H]([NH3+])([C@2H2][C](=[O])[O-])[C](=[O])[O-]

'D-aspartate'

Fischer Diagram :

Terminal :

% 'D-aspartate'

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