2-chloroethanol

As part of a cooperative effort, this compound was donated by Eva C. Young, University of Minnesota, and independently checked by Toni Kazic and William B. Wise, University of Missouri - Columbia. Please see its listing in the University of Minnesota Biocatalysis/Biodegradation Database for additional information. If you are interested in donating or reviewing compounds, please email us !

Config Rule :

% '2-chloroethanol'


config('2-chloroethanol',[
        chain([
                hydroxymethyl,
                methandiyl,
                cl])]).

Smiles String :

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

Terminal :

% '2-chloroethanol'

c(1,12,(0,nonchiral))-[c(2,left)~,h(1,right)~,o(1,up)~,h(2,down)~],
c(2,12,(0,nonchiral))-[cl(1,left)~,c(1,right)~,h(4,up)~,h(5,down)~],
cl(1,35,(0,nonchiral))-[c(2,right)~],
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,down)~],
h(5,1,(0,nonchiral))-[c(2,up)~],
o(1,16,(0,nonchiral))-[h(3,nil)~,c(1,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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