<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:55:06 -0600</creation_date>
  <update_date>2015-06-03 17:21:00 -0600</update_date>
  <accession>ECMDB21246</accession>
  <m2m_id>M2MDB001654</m2m_id>
  <name>Molybdate</name>
  <description>Molybdate is a compound containing an oxoanion with molybdenum in its highest oxidation state of 6. Molybdenum can form a very large range of such oxoanions which can be discrete structures or polymeric extended structures, although the latter are only found in the solid state.The larger oxoanions are members of group of compounds termed polyoxometalates, and because they contain only one type of metal atom are often called isopolymetalates. The discrete molybdenum oxoanions range in size from the simplest MoO42_, found in potassium molybdate up to extremely large structures found in isopoly-molybdenum blues that contain for example 154 Mo atoms. The behaviour of molybdenum is different from the other elements in group 6.  Molybdate is involved in the molybdenum cofactor biosynthesis pathway.  Molybdate reacts with molybdopterin-AMP to produce molybdenum cofactor, AMP, and H2O.</description>
  <synonyms>
    <synonym>Molybdate</synonym>
    <synonym>Molybdate ion</synonym>
    <synonym>Molybdates</synonym>
    <synonym>Molybdic acid</synonym>
    <synonym>Molybdic acid ion</synonym>
    <synonym>MoO4-2</synonym>
    <synonym>MoO42-</synonym>
    <synonym>MoO&lt;sub&gt;4&lt;/sub&gt;&lt;sup&gt;-2&lt;/sup&gt;</synonym>
    <synonym>MoO&lt;sub&gt;4&lt;/sub&gt;&lt;sup&gt;2-&lt;/sup&gt;</synonym>
    <synonym>Tetraoxidomolybdate(2)</synonym>
    <synonym>Tetraoxidomolybdate(6)</synonym>
    <synonym>Tetraoxidomolybdic acid(2)</synonym>
    <synonym>Tetraoxidomolybdic acid(6)</synonym>
    <synonym>[MoO4]2</synonym>
  </synonyms>
  <chemical_formula>H2MoO4</chemical_formula>
  <average_molecular_weight>161.95</average_molecular_weight>
  <monisotopic_moleculate_weight>163.900716398</monisotopic_moleculate_weight>
  <iupac_name>dihydroxydioxomolybdenumbis(ylium)</iupac_name>
  <traditional_iupac>dihydroxydioxomolybdenumbis(ylium)</traditional_iupac>
  <cas_registry_number>14259-85-9</cas_registry_number>
  <smiles>O[Mo](O)(=O)=O</smiles>
  <inchi>InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2</inchi>
  <inchikey>VLAPMBHFAWRUQP-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>-1.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-2.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>dihydroxydioxomolybdenumbis(ylium)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>161.95</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>163.900716398</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O[Mo](O)(=O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>H2MoO4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>VLAPMBHFAWRUQP-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>74.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>8.02</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.51</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>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
    <pathway>
      <name>ABC transporters</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec02010</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>GTP degradation</name>
      <description>GTP, produced in the nucleotide de novo biosyntheis pathway, interacts with a water molecule through a GTP cyclohydrolase resulting in a formate, hydrogen ion and a 7,8-dihydroneopterin 3'-triphosphate. The latter compound interacts with a water molecule through a dihydroneopterin triphosphate pyrophosphohydrolase resulting in the release of a pyrophosphate, a hydrogen ion and a 7,8-dihydroneopterin 3'-phosphate. The latter compound interacts with water spontaneously resulting in the release of a phosphate and a 7,8 dihydroneopterin. The latter compound interacts with a dihydroneopterin aldolase resulting in the release of a glycolaldehyde and a 6-hydroxymethyl-7,8-dihydropterin. This compound then is then diphosphorylated by reacting with a ATP driven 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase resulting in the release of a hydrogen ion, an AMP and 6-hydroxymethyl-7,8-dihydropterin diphosphate.

GTP interacts with a cyclic pyranopterin monophosphate synthase resulting in the release of a diphosphate and a cyclic pyranopterin phosphate. The latter compound interacts with a thiocarboxylated small subunit of molybdopterin synthase (a protein) and a water molecule through a molybdopterin synthase resulting in the release of 4 hydrogen ions, 2 small subunits of molybdopterin synthase and a molybdopterin. The molybdopterin interacts with an ATP and a hydrogen ion through a molybdopterin adenylyltransferase resulting in the release of a diphosphate and a molybdopterin adenine dinucleotide.</description>
      <pathwhiz_id>PW001888</pathwhiz_id>
      <kegg_map_id/>
      <subject>Metabolic</subject>
    </pathway>
    <pathway>
      <name>molybdenum cofactor biosynthesis</name>
      <ecocyc_pathway_id>PWY-6823</ecocyc_pathway_id>
    </pathway>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB12260</hmdb_id>
  <pubchem_compound_id>24621</pubchem_compound_id>
  <chemspider_id>23023</chemspider_id>
  <kegg_id>C06232</kegg_id>
  <chebi_id>36264</chebi_id>
  <biocyc_id>CPD-3</biocyc_id>
  <het_id/>
  <wikipidia>Molybdate</wikipidia>
  <foodb_id/>
  <general_references>
    <reference>
      <reference_text>Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590.</reference_text>
      <pubmed_id>21097882</pubmed_id>
    </reference>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <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>Molybdenum transport system permease protein modB</name>
      <uniprot_id>P0AF01</uniprot_id>
      <uniprot_name>MODB_ECOLI</uniprot_name>
      <gene_name>modB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AF01.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>Sulfate-binding protein</name>
      <uniprot_id>P0AG78</uniprot_id>
      <uniprot_name>SUBI_ECOLI</uniprot_name>
      <gene_name>sbp</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AG78.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Molybdopterin molybdenumtransferase</name>
      <uniprot_id>P12281</uniprot_id>
      <uniprot_name>MOEA_ECOLI</uniprot_name>
      <gene_name>moeA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P12281.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>Molybdenum import ATP-binding protein ModC</name>
      <uniprot_id>P09833</uniprot_id>
      <uniprot_name>MODC_ECOLI</uniprot_name>
      <gene_name>modC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P09833.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Molybdate-binding periplasmic protein</name>
      <uniprot_id>P37329</uniprot_id>
      <uniprot_name>MODA_ECOLI</uniprot_name>
      <gene_name>modA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P37329.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>Molybdenum transport system permease protein modB</name>
      <uniprot_id>P0AF01</uniprot_id>
      <uniprot_name>MODB_ECOLI</uniprot_name>
      <gene_name>modB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AF01.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>Sulfate-binding protein</name>
      <uniprot_id>P0AG78</uniprot_id>
      <uniprot_name>SUBI_ECOLI</uniprot_name>
      <gene_name>sbp</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AG78.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>Molybdenum import ATP-binding protein ModC</name>
      <uniprot_id>P09833</uniprot_id>
      <uniprot_name>MODC_ECOLI</uniprot_name>
      <gene_name>modC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P09833.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>
    <enzyme>
      <name>Molybdate-binding periplasmic protein</name>
      <uniprot_id>P37329</uniprot_id>
      <uniprot_name>MODA_ECOLI</uniprot_name>
      <gene_name>modA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P37329.xml</protein_url>
    </enzyme>
  </transporters>
  <reactions>
    <reaction_text>Adenosine triphosphate + Water + Molybdate &gt; ADP + Hydrogen ion + Molybdate + Phosphate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>ABC-19-RXN</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Water + Molybdate &gt; ADP + Hydrogen ion + Molybdate + Phosphate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>ABC-19-RXN</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>2 Hydrogen ion + Molybdate + Adenylated molybdopterin &gt; Adenosine monophosphate + Copper + Water + Molybdopterin</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Adenylated molybdopterin + Molybdate &lt;&gt; Molybdoenzyme molybdenum cofactor + Adenosine monophosphate + Water + Molybdoenzyme molybdenum cofactor</reaction_text>
    <kegg_reaction_id>R09735</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Molybdate + Water &gt; ADP + Phosphate + Molybdate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>ABC-19-RXN</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Molybdate + Water &gt; ADP + Phosphate + Molybdate + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>ABC-19-RXN</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenylated molybdopterin + Molybdate &gt; molybdenum cofactor + Adenosine monophosphate + Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>RXN-8348</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Water + Molybdate &gt; ADP + Inorganic phosphate + Molybdate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Water + Molybdate &gt; ADP + Inorganic phosphate + Molybdate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Adenylyl-molybdopterin + Molybdate &gt; Molybdopterin + Adenosine monophosphate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>ADP + Phosphate + 4 Hydrogen ion + Heme + Nickel(2+) + Iron chelate + Taurine + Molybdate + Magnesium + Fe3+ + Potassium + Polyamine + vitamin B12 + Sulfate + glycerol-3-phosphate + Phosphonate + D-Maltose &lt;&gt; Adenosine triphosphate +3 Hydrogen ion + Water</reaction_text>
    <kegg_reaction_id>R00086</kegg_reaction_id>
    <ecocyc_id>RXN0-1061</ecocyc_id>
    <pw_reaction_id/>
    <reaction_text>Adenylyl-molybdopterin + Hydrogen ion + Molybdate &gt; Adenosine monophosphate + Water + molybdenum cofactor</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id>PW_R005941</pw_reaction_id>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
