acetate

Accession Number : KLM0000565

This work is released into the public domain; please see our release statement.

Synonyms :

ethanoic acid
ethylic acid
vinegar acid
glacial acetic acid
vinegar
methanecarboxylic acid
acetic acid glacial
TCLP extraction fluid 2
shotgun
acetic acid
local_primary_term(Acetate)

Config Rule :

% acetate


config(acetate,[
        top(methyl),
        bottom(carboxyl)]).

Smiles String :

[CH3][C](=[O])[O-]

acetate

Fischer Diagram :

Terminal :

% acetate

c(1,12,(0,nonchiral))-[c(2,left)~,h(1,right)~,h(3,up)~,h(2,down)~],
c(2,12,(0,nonchiral))-[o(1,nil)?,c(1,right)~,o(2,nil)?],
h(1,1,(0,nonchiral))-[c(1,left)~],
h(2,1,(0,nonchiral))-[c(1,up)~],
h(3,1,(0,nonchiral))-[c(1,down)~],
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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