<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:55:25 -0600</creation_date>
  <update_date>2015-06-03 17:21:13 -0600</update_date>
  <accession>ECMDB21355</accession>
  <m2m_id>M2MDB001752</m2m_id>
  <name>Selenite</name>
  <description>The selenite anion is a selenium oxoanion with the chemical formula SeO32&amp;#8722;. A selenite (compound) is a compound that contains this ion. In slightly acid conditions, the hydrogenselenite ion, HSeO3&amp;#8722;, is formed; in more acidic conditions selenous acid, H2SeO3, exists. Most selenite salts can be formed by heating the relevant metal oxide with selenium dioxide, e.g.:Na2O + SeO2 &amp;#8594; Na2SeO3. Selenite is an inorganic form of selenium which may also be useful in cancer chemotherapy.(Wikipedia)</description>
  <synonyms>
    <synonym>Selenit</synonym>
    <synonym>Selenite</synonym>
    <synonym>Selenite (SeO32-)</synonym>
    <synonym>Selenite ion (SeO32-)</synonym>
    <synonym>Selenite ion(2-)</synonym>
    <synonym>Selenite(2-)</synonym>
    <synonym>Trioxidoselenate(2)</synonym>
    <synonym>Trioxidoselenic acid(2)</synonym>
    <synonym>Trioxoselenate(2)</synonym>
    <synonym>Trioxoselenate(4)</synonym>
    <synonym>Trioxoselenic acid(2)</synonym>
    <synonym>Trioxoselenic acid(4)</synonym>
    <synonym>[SeO3]2</synonym>
  </synonyms>
  <chemical_formula>O3Se</chemical_formula>
  <average_molecular_weight>126.96</average_molecular_weight>
  <monisotopic_moleculate_weight>127.901265694</monisotopic_moleculate_weight>
  <iupac_name>selenous acid</iupac_name>
  <traditional_iupac>selenious acid</traditional_iupac>
  <cas_registry_number>14124-67-5</cas_registry_number>
  <smiles>[O-][Se]([O-])=O</smiles>
  <inchi>InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2</inchi>
  <inchikey>MCAHWIHFGHIESP-UHFFFAOYSA-L</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>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>selenous acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>126.96</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>127.901265694</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[O-][Se]([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O3Se</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>MCAHWIHFGHIESP-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>57.53</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>19.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>5.84</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>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>169794</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>63609</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>63610</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>63611</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>120576</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>120577</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>120578</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2276202</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2276203</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2276204</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3092293</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3092294</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3092295</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB11119</hmdb_id>
  <pubchem_compound_id>1090</pubchem_compound_id>
  <chemspider_id>1059</chemspider_id>
  <kegg_id>C05684</kegg_id>
  <chebi_id>18212</chebi_id>
  <biocyc_id>SELENITE</biocyc_id>
  <het_id/>
  <wikipidia>Selenite_(ion)</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>Thioredoxin reductase</name>
      <uniprot_id>P0A9P4</uniprot_id>
      <uniprot_name>TRXB_ECOLI</uniprot_name>
      <gene_name>trxB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0A9P4.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Probable anaerobic dimethyl sulfoxide reductase chain ynfG</name>
      <uniprot_id>P0AAJ1</uniprot_id>
      <uniprot_name>YNFG_ECOLI</uniprot_name>
      <gene_name>ynfG</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AAJ1.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>Sulfate/thiosulfate import ATP-binding protein cysA</name>
      <uniprot_id>P16676</uniprot_id>
      <uniprot_name>CYSA_ECOLI</uniprot_name>
      <gene_name>cysA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16676.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>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>Putative dimethyl sulfoxide reductase chain ynfE</name>
      <uniprot_id>P77374</uniprot_id>
      <uniprot_name>YNFE_ECOLI</uniprot_name>
      <gene_name>ynfE</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77374.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Probable dimethyl sulfoxide reductase chain ynfF</name>
      <uniprot_id>P77783</uniprot_id>
      <uniprot_name>YNFF_ECOLI</uniprot_name>
      <gene_name>ynfF</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77783.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate transport system permease protein cysW</name>
      <uniprot_id>P0AEB0</uniprot_id>
      <uniprot_name>CYSW_ECOLI</uniprot_name>
      <gene_name>cysW</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AEB0.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate transport system permease protein cysT</name>
      <uniprot_id>P16701</uniprot_id>
      <uniprot_name>CYST_ECOLI</uniprot_name>
      <gene_name>cysU</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16701.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Thiosulfate-binding protein</name>
      <uniprot_id>P16700</uniprot_id>
      <uniprot_name>CYSP_ECOLI</uniprot_name>
      <gene_name>cysP</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16700.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>Anaerobic dimethyl sulfoxide reductase chain ynfH</name>
      <uniprot_id>P76173</uniprot_id>
      <uniprot_name>YNFH_ECOLI</uniprot_name>
      <gene_name>ynfH</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P76173.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>
    <enzyme>
      <name>Sulfate/thiosulfate import ATP-binding protein cysA</name>
      <uniprot_id>P16676</uniprot_id>
      <uniprot_name>CYSA_ECOLI</uniprot_name>
      <gene_name>cysA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16676.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate transport system permease protein cysW</name>
      <uniprot_id>P0AEB0</uniprot_id>
      <uniprot_name>CYSW_ECOLI</uniprot_name>
      <gene_name>cysW</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AEB0.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Sulfate transport system permease protein cysT</name>
      <uniprot_id>P16701</uniprot_id>
      <uniprot_name>CYST_ECOLI</uniprot_name>
      <gene_name>cysU</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16701.xml</protein_url>
    </enzyme>
    <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>Thiosulfate-binding protein</name>
      <uniprot_id>P16700</uniprot_id>
      <uniprot_name>CYSP_ECOLI</uniprot_name>
      <gene_name>cysP</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16700.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>Menaquinol 8 + Selenocystathionine &gt; Water + Menaquinone 8 + Selenite</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Hydrogen selenide + 3 NADP + 3 Water &lt;&gt; Selenite +3 NADPH +5 Hydrogen ion</reaction_text>
    <kegg_reaction_id>R03596</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Selenite + Glutathione + Hydrogen ion &gt; Selenodiglutathione + Glutathione disulfide + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>RXN-12864</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Selenite + Water + an oxidized electron acceptor &lt; selenate + a reduced electron acceptor</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>RXN0-2101</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Selenite + Water + Adenosine triphosphate &gt; Selenite + ADP + Phosphate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>TRANS-RXN0-479</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Selenite + Water + Adenosine triphosphate &gt; Selenite + ADP + Phosphate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>TRANS-RXN0-479</ecocyc_id>
    <pw_reaction_id/>
    <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>
    <reaction_text>Hydrogen selenide + 3 NADP + 3 Water &lt;&gt; Selenite +3 NADPH</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
