<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2015-06-04 15:17:12 -0600</creation_date>
  <update_date>2015-08-05 16:22:04 -0600</update_date>
  <accession>ECMDB23788</accession>
  <m2m_id>M2MDB004318</m2m_id>
  <name>Selenate</name>
  <description>A divalent inorganic anion obtained by removal of both protons from selenic acid</description>
  <synonyms>
    <synonym>H2SEO4</synonym>
    <synonym>Selenate</synonym>
    <synonym>Selenic acid</synonym>
    <synonym>[SeO2(OH)2]</synonym>
  </synonyms>
  <chemical_formula>H2O4Se</chemical_formula>
  <average_molecular_weight>144.97</average_molecular_weight>
  <monisotopic_moleculate_weight>145.91183038</monisotopic_moleculate_weight>
  <iupac_name>selenic acid</iupac_name>
  <traditional_iupac>selenic acid</traditional_iupac>
  <cas_registry_number>7783-08-6</cas_registry_number>
  <smiles>O[Se](O)(=O)=O</smiles>
  <inchi>InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)</inchi>
  <inchikey>QYHFIVBSNOWOCQ-UHFFFAOYSA-N</inchikey>
  <state/>
  <cellular_locations>
  </cellular_locations>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-3.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>selenic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>144.97</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>145.91183038</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O[Se](O)(=O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>H2O4Se</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>QYHFIVBSNOWOCQ-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>74.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>21.13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.65</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>2</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>
    <pathway>
      <name>Selenoamino acid metabolism</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec00450</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>Selenium metabolism</name>
      <description>The selenium metabolism begins with the introduction of selenate and selenite to the cytosol through a sulphate permease system. Once in the cell, selenate can be reduced to selenite through nitrate reductases A and Z. Selenite then interacts with glutathione and 2 hydrogen ions resulting in the release of 2 water molecules, a hydroxide molecule, a glutathione disulfide and a selenodiglutathione. The latter compound then reacts with NADPH+H resulting in the release of a NADP, a glutathione and a glutathioselenol. 
Glutathiolselenol can then be oxidize resulting in a a glutathiolselenol ion which can then interact with a water molecule resulting in a release of glutathion and selenium
Glutathiolselenol can also react with NADPH and hydrogen ion resulting in a release of glutathione, NADP, a hydroxide molecule and a hydrogen selenide. This compound can react in a reversible reaction by being  oxidized resulting in a hydrogen selenide ion . This compound can then be phosphorylated by interacting with an ATP and releasing a AMP, a phosphate and a selenophosphate.</description>
      <pathwhiz_id>PW001894</pathwhiz_id>
      <kegg_map_id/>
      <subject>Metabolic</subject>
    </pathway>
    <pathway>
      <name>inner membrane transport</name>
      <description>list of inner membrane transport complexes, transporting compounds from the periplasmic space to the cytosol
This pathway should be updated regularly with the new inner membrae transports added</description>
      <pathwhiz_id>PW000786</pathwhiz_id>
      <kegg_map_id/>
      <subject>Metabolic</subject>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>35605</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>155323</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29315</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29316</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29317</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>35873</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>35874</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>35875</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2754319</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2754320</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2754321</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2951412</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2951413</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2951414</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id>C05697</kegg_id>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <foodb_id/>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Respiratory nitrate reductase 1 alpha chain</name>
      <uniprot_id>P09152</uniprot_id>
      <uniprot_name>NARG_ECOLI</uniprot_name>
      <gene_name>narG</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P09152.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Respiratory nitrate reductase 2 gamma chain</name>
      <uniprot_id>P0AF32</uniprot_id>
      <uniprot_name>NARV_ECOLI</uniprot_name>
      <gene_name>narV</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AF32.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Respiratory nitrate reductase 1 beta chain</name>
      <uniprot_id>P11349</uniprot_id>
      <uniprot_name>NARH_ECOLI</uniprot_name>
      <gene_name>narH</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P11349.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Respiratory nitrate reductase 1 gamma chain</name>
      <uniprot_id>P11350</uniprot_id>
      <uniprot_name>NARI_ECOLI</uniprot_name>
      <gene_name>narI</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P11350.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Probable nitrate reductase molybdenum cofactor assembly chaperone NarW</name>
      <uniprot_id>P19317</uniprot_id>
      <uniprot_name>NARW_ECOLI</uniprot_name>
      <gene_name>narW</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P19317.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Respiratory nitrate reductase 2 beta chain</name>
      <uniprot_id>P19318</uniprot_id>
      <uniprot_name>NARY_ECOLI</uniprot_name>
      <gene_name>narY</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P19318.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Respiratory nitrate reductase 2 alpha chain</name>
      <uniprot_id>P19319</uniprot_id>
      <uniprot_name>NARZ_ECOLI</uniprot_name>
      <gene_name>narZ</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P19319.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate adenylyltransferase subunit 2</name>
      <uniprot_id>P21156</uniprot_id>
      <uniprot_name>CYSD_ECOLI</uniprot_name>
      <gene_name>cysD</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P21156.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate adenylyltransferase subunit 1</name>
      <uniprot_id>P23845</uniprot_id>
      <uniprot_name>CYSN_ECOLI</uniprot_name>
      <gene_name>cysN</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P23845.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Periplasmic nitrate reductase</name>
      <uniprot_id>P33937</uniprot_id>
      <uniprot_name>NAPA_ECOLI</uniprot_name>
      <gene_name>napA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P33937.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Diheme cytochrome c napB</name>
      <uniprot_id>P0ABL3</uniprot_id>
      <uniprot_name>NAPB_ECOLI</uniprot_name>
      <gene_name>napB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0ABL3.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Nitrate reductase molybdenum cofactor assembly chaperone NarJ</name>
      <uniprot_id>P0AF26</uniprot_id>
      <uniprot_name>NARJ_ECOLI</uniprot_name>
      <gene_name>narJ</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AF26.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>Selenite + Water + Acceptor &lt;&gt; Selenate + Reduced acceptor</reaction_text>
    <kegg_reaction_id>R07229 </kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Selenate + 2 Hydrogen ion + 2 Electron &gt; Selenite + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id>PW_R005187</pw_reaction_id>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
