<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:55:17 -0600</creation_date>
  <update_date>2015-10-02 02:25:49 -0600</update_date>
  <accession>ECMDB21309</accession>
  <m2m_id>M2MDB001712</m2m_id>
  <name>Arsenite</name>
  <description>Arsenite is a chemical compound containing an arsenic oxoanion where arsenic has oxidation state +3.; In chemistry an arsenite is a chemical compound containing an arsenic oxoanion where arsenic has oxidation state +3. Examples of arsenites include sodium arsenite which contains a polymeric linear anion, [AsO2&amp;#8722;]n, silver arsenite, Ag3AsO3, which contains the trigonal, [AsO3]3&amp;#8722; anion, sometimes called ortho-arsenite. Arsenite contrasts to the corresponding anions of the lighter members of group 15, phosphite which has the structure [HPO3]2&amp;#8722; and nitrite, NO2&amp;#8722;  which is planar. Sodium arsenite is used in the water gas shift reaction to remove carbon dioxide.</description>
  <synonyms>
    <synonym>AArsenite (AsO33-)</synonym>
    <synonym>Arsenic (III) oxide</synonym>
    <synonym>Arsenic (III) trioxide</synonym>
    <synonym>Arsenic oxide</synonym>
    <synonym>Arsenic sesquioxide</synonym>
    <synonym>Arsenic trioxide</synonym>
    <synonym>Arsenicum album</synonym>
    <synonym>Arsenious oxide</synonym>
    <synonym>Arsenite</synonym>
    <synonym>Arsenite(3-)</synonym>
    <synonym>Arsenolite</synonym>
    <synonym>Arsenous acid anhydride</synonym>
    <synonym>Arsenous acid ion(3-)</synonym>
    <synonym>Arsenous anhydride</synonym>
    <synonym>Arsenous oxide</synonym>
    <synonym>Arsenous oxide anhydride</synonym>
    <synonym>Arsenous trioxide</synonym>
    <synonym>Arsodent</synonym>
    <synonym>Arsorite</synonym>
    <synonym>As(OH)3</synonym>
    <synonym>As(OH)&lt;sub&gt;3&lt;/sub&gt;</synonym>
    <synonym>AsO33</synonym>
    <synonym>Claudelite</synonym>
    <synonym>Clauditite</synonym>
    <synonym>Crude arsenic</synonym>
    <synonym>Diarsenic oxide</synonym>
    <synonym>Diarsenic trioxide</synonym>
    <synonym>Diarsonic trioxide</synonym>
    <synonym>Trioxidoarsenate(3)</synonym>
    <synonym>Trioxidoarsenate(3-)</synonym>
    <synonym>Trioxidoarsenic acid(3)</synonym>
    <synonym>Trioxidoarsenic acid(3-)</synonym>
    <synonym>Trioxoarsenate(3)</synonym>
    <synonym>Trioxoarsenate(3-)</synonym>
    <synonym>Trioxoarsenate(III)</synonym>
    <synonym>Trioxoarsenic acid(3)</synonym>
    <synonym>Trioxoarsenic acid(3-)</synonym>
    <synonym>Trioxoarsenic acid(iii)</synonym>
    <synonym>Trisoxylatoarsine</synonym>
    <synonym>White arsenic</synonym>
    <synonym>[AsO3]3</synonym>
  </synonyms>
  <chemical_formula>AsH3O3</chemical_formula>
  <average_molecular_weight>125.9436</average_molecular_weight>
  <monisotopic_moleculate_weight>125.929815379</monisotopic_moleculate_weight>
  <iupac_name>arsorous acid</iupac_name>
  <traditional_iupac>arsenite</traditional_iupac>
  <cas_registry_number>15502-74-6</cas_registry_number>
  <smiles>O[As](O)O</smiles>
  <inchi>InChI=1S/AsH3O3/c2-1(3)4/h2-4H</inchi>
  <inchikey>GCPXMJHSNVMWNM-UHFFFAOYSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location>Cytosol</cellular_location>
    <cellular_location>Extra-organism</cellular_location>
    <cellular_location>Periplasm</cellular_location>
  </cellular_locations>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Boiling Pt : 465 oC</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.86</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>6.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-6.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>arsorous acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>125.9436</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>125.929815379</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O[As](O)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>AsH3O3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/AsH3O3/c2-1(3)4/h2-4H</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GCPXMJHSNVMWNM-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>60.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>7.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.27</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>151851</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>28148</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>28149</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>28150</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34706</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34707</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34708</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3050114</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3050115</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3050116</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3119920</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3119921</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3119922</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB11620</hmdb_id>
  <pubchem_compound_id>544</pubchem_compound_id>
  <chemspider_id>529</chemspider_id>
  <kegg_id>C06697</kegg_id>
  <chebi_id>29866</chebi_id>
  <biocyc_id>CPD-763</biocyc_id>
  <het_id>TAS</het_id>
  <wikipidia>Arsenite</wikipidia>
  <foodb_id/>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Arsenate reductase</name>
      <uniprot_id>P0AB96</uniprot_id>
      <uniprot_name>ARSC_ECOLI</uniprot_name>
      <gene_name>arsC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AB96.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Arsenical pump membrane protein</name>
      <uniprot_id>P0AB93</uniprot_id>
      <uniprot_name>ARSB_ECOLI</uniprot_name>
      <gene_name>arsB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AB93.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Glutaredoxin-2</name>
      <uniprot_id>P0AC59</uniprot_id>
      <uniprot_name>GLRX2_ECOLI</uniprot_name>
      <gene_name>grxB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AC59.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
    <enzyme>
      <name>Outer membrane protein N</name>
      <uniprot_id>P77747</uniprot_id>
      <uniprot_name>OMPN_ECOLI</uniprot_name>
      <gene_name>ompN</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77747.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane pore protein E</name>
      <uniprot_id>P02932</uniprot_id>
      <uniprot_name>PHOE_ECOLI</uniprot_name>
      <gene_name>phoE</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P02932.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane protein F</name>
      <uniprot_id>P02931</uniprot_id>
      <uniprot_name>OMPF_ECOLI</uniprot_name>
      <gene_name>ompF</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P02931.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane protein C</name>
      <uniprot_id>P06996</uniprot_id>
      <uniprot_name>OMPC_ECOLI</uniprot_name>
      <gene_name>ompC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P06996.xml</protein_url>
    </enzyme>
  </transporters>
  <reactions>
    <reaction_text>Arsenate + 2 Glutathione &gt; Arsenite + Glutathione disulfide + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Arsenite + Adenosine triphosphate + Water &gt; ADP + Hydrogen ion + Phosphate + Arsenite</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Arsenite + Adenosine triphosphate + Water &gt; ADP + Hydrogen ion + Phosphate + Arsenite</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Arsenate + glutaredoxin &gt; Arsenite + glutaredoxin disulfide + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Arsenate ion + Glutaredoxin &lt;&gt; Arsenite + Glutaredoxin disulfide + Water</reaction_text>
    <kegg_reaction_id>R05747 </kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Arsenate ion + Glutaredoxin &lt;&gt; Arsenite + Glutaredoxin disulfide + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
