1-L-myo-inositol-5-phosphate

Accession Number : KLM0000001 This work is released into the public domain; please see our release statement.

Synonyms :

Config Rule : 

% '1-L-myo-inositol-5-phosphate'


config('1-L-myo-inositol-5-phosphate',[
        ring([
                car(6,hydroxyl&&hyd),
                car(5,phosphate&&hyd),
                car(4,hyd&&hydroxyl),
                car(3,hydroxyl&&hyd),
                car(2,hyd&&hydroxyl),
                car(1,hydroxyl&&hyd)])]).

Smiles String : 

[C@2H]-1([C@2H]([C@2H]([OH])[C@2H]([C@2H]([OH])[C@1H]-1[O][P@2](=[O])([O-])[O-])[OH])[OH])[OH]

Fischer Diagram :

Terminal :

% '1-L-myo-inositol-5-phosphate'

c(1,12,(0,chiral))-[c(6,left)~,c(2,right)~,o(6,up)~,h(10,down)~],
c(2,12,(0,nonchiral))-[c(1,left)~,c(3,right)~,h(8,up)~,o(5,down)~],
c(3,12,(0,chiral))-[c(2,left)~,c(4,right)~,o(4,up)~,h(6,down)~],
c(4,12,(0,chiral))-[c(3,left)~,c(5,right)~,h(4,up)~,o(3,down)~],
c(5,12,(0,nonchiral))-[c(4,left)~,c(6,right)~,o(2,up)~,h(3,down)~],
c(6,12,(0,chiral))-[c(5,left)~,c(1,right)~,o(1,up)~,h(1,down)~],
h(1,1,(0,nonchiral))-[c(6,up)~],
h(2,1,(0,nonchiral))-[o(1,nil)~],
h(3,1,(0,nonchiral))-[c(5,up)~],
h(4,1,(0,nonchiral))-[c(4,down)~],
h(5,1,(0,nonchiral))-[o(3,nil)~],
h(6,1,(0,nonchiral))-[c(3,up)~],
h(7,1,(0,nonchiral))-[o(4,nil)~],
h(8,1,(0,nonchiral))-[c(2,down)~],
h(9,1,(0,nonchiral))-[o(5,nil)~],
h(10,1,(0,nonchiral))-[c(1,up)~],
h(11,1,(0,nonchiral))-[o(6,nil)~],
o(1,16,(0,nonchiral))-[h(2,nil)~,c(6,down)~],
o(2,16,(0,nonchiral))-[p(1,right)~,c(5,down)~],
o(3,16,(0,nonchiral))-[h(5,nil)~,c(4,up)~],
o(4,16,(0,nonchiral))-[h(7,nil)~,c(3,down)~],
o(5,16,(0,nonchiral))-[h(9,nil)~,c(2,up)~],
o(6,16,(0,nonchiral))-[h(11,nil)~,c(1,down)~],
o(7,16,(-6.666666666666666E-01,nonchiral))-[p(1,left)?],
o(8,16,(-6.666666666666666E-01,nonchiral))-[p(1,up)?],
o(9,16,(-6.666666666666666E-01,nonchiral))-[p(1,down)?],
p(1,31,(0,nonchiral))-[o(2,left)~,o(7,right)?,o(9,up)?,o(8,down)?]

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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