<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:55:42 -0600</creation_date>
  <update_date>2015-06-03 17:21:23 -0600</update_date>
  <accession>ECMDB21394</accession>
  <m2m_id>M2MDB001789</m2m_id>
  <name>Arsenate</name>
  <description>Arsenate is a member of the chemical class known as Miscellaneous Arsenites. These are inorganic compounds in which the largest metallic oxoanion is arsenite, to which either no atom or a non metal atom is bonded.  The arsenate ion is AsO43-. An arsenate (compound) is any compound that contains this ion. Arsenates are salts or esters of arsenic acid. The arsenic atom in arsenate has a valency of 5 and is also known as pentavalent arsenic or As[V]. Arsenate resembles phosphate in many respects, since arsenic and phosphorus occur in the same group (column) of the periodic table. Arsenates are moderate oxidizers, with an electrode potential of +0.56 for reduction to arsenites. (WikiPedia)</description>
  <synonyms>
    <synonym>Arsate</synonym>
    <synonym>Arsenate ion</synonym>
    <synonym>Arsenate ions</synonym>
    <synonym>Arsenate(3-)</synonym>
    <synonym>Arsenic acid</synonym>
    <synonym>Arsenic acid ion</synonym>
    <synonym>Arsenic acid ions</synonym>
    <synonym>Arsenic acid(3-)</synonym>
    <synonym>Arsic acid</synonym>
    <synonym>Arsorate</synonym>
    <synonym>Arsoric acid</synonym>
    <synonym>ART</synonym>
    <synonym>AsO43-</synonym>
    <synonym>AsO&lt;SUB&gt;4&lt;/SUB&gt;&lt;SUP&gt;3-&lt;/SUP&gt;</synonym>
    <synonym>Inorganic arsenate</synonym>
    <synonym>Inorganic arsenic acid</synonym>
    <synonym>Orthoarsenate</synonym>
    <synonym>Orthoarsenic acid</synonym>
    <synonym>Tetraoxidoarsenate(3-)</synonym>
    <synonym>Tetraoxidoarsenic acid(3-)</synonym>
    <synonym>Tetraoxoarsenate(3-)</synonym>
    <synonym>Tetraoxoarsenate(v)</synonym>
    <synonym>Tetraoxoarsenic acid(3-)</synonym>
    <synonym>Tetraoxoarsenic acid(V)</synonym>
  </synonyms>
  <chemical_formula>AsH3O4</chemical_formula>
  <average_molecular_weight>141.943</average_molecular_weight>
  <monisotopic_moleculate_weight>141.924730001</monisotopic_moleculate_weight>
  <iupac_name>arsoric acid</iupac_name>
  <traditional_iupac>arsenic acid</traditional_iupac>
  <cas_registry_number>15584-04-0</cas_registry_number>
  <smiles>O[As](O)(O)=O</smiles>
  <inchi>InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)</inchi>
  <inchikey>DJHGAFSJWGLOIV-UHFFFAOYSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location>Cytosol</cellular_location>
  </cellular_locations>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>3.15</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>arsoric acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>141.943</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>141.924730001</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O[As](O)(O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>AsH3O4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>DJHGAFSJWGLOIV-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>77.76</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>9.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>7.07</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</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>26152</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>156450</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27152</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27153</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27154</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33710</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33711</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33712</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2342613</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2342614</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2342615</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2595925</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2595926</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2595927</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB12190</hmdb_id>
  <pubchem_compound_id>27401</pubchem_compound_id>
  <chemspider_id>229</chemspider_id>
  <kegg_id>C01478</kegg_id>
  <chebi_id>29125</chebi_id>
  <biocyc_id>ARSENATE</biocyc_id>
  <het_id>ART</het_id>
  <wikipidia>Arsenate</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>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>Low-affinity inorganic phosphate transporter 1</name>
      <uniprot_id>P0AFJ7</uniprot_id>
      <uniprot_name>PITA_ECOLI</uniprot_name>
      <gene_name>pitA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AFJ7.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>Adenosine triphosphate + Arsenate + Water &gt; ADP + Arsenate + Phosphate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>TRANS-RXN-7</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Arsenate + Water &gt; ADP + Arsenate + Phosphate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>TRANS-RXN-7</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Arsenate + glutaredoxin &gt; Arsenite + glutaredoxin disulfide + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
