glycerol

Accession Number : KLM0000202 This work is released into the public domain; please see our release statement.

Synonyms :

Config Rule :

% glycerol


config(glycerol,[
        chain([
                hydroxymethyl,
                car(2,hyd&&hydroxyl),
                hydroxymethyl])]).

Smiles String :

[C@2H2]([C@2H]([C@2H2][OH])[OH])[OH]

glycerol

Fischer Diagram :

Terminal :

% glycerol

c(1,12,(0,nonchiral))-[c(2,left)~,h(1,right)~,o(1,up)~,h(2,down)~],
c(2,12,(0,nonchiral))-[c(3,left)~,c(1,right)~,o(2,up)~,h(4,down)~],
c(3,12,(0,nonchiral))-[h(6,left)~,c(2,right)~,h(7,up)~,o(3,down)~],
h(1,1,(0,nonchiral))-[c(1,left)~],
h(2,1,(0,nonchiral))-[c(1,up)~],
h(3,1,(0,nonchiral))-[o(1,nil)~],
h(4,1,(0,nonchiral))-[c(2,up)~],
h(5,1,(0,nonchiral))-[o(2,nil)~],
h(6,1,(0,nonchiral))-[c(3,right)~],
h(7,1,(0,nonchiral))-[c(3,down)~],
h(8,1,(0,nonchiral))-[o(3,nil)~],
o(1,16,(0,nonchiral))-[h(3,nil)~,c(1,down)~],
o(2,16,(0,nonchiral))-[h(5,nil)~,c(2,down)~],
o(3,16,(0,nonchiral))-[h(8,nil)~,c(3,up)~]

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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