<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:54:49 -0600</creation_date>
  <update_date>2015-09-13 12:56:14 -0600</update_date>
  <accession>ECMDB21194</accession>
  <m2m_id>M2MDB001603</m2m_id>
  <name>Cadmium</name>
  <description>Cadmium is a chemical element with the symbol Cd and atomic number 48. Cadmium usually has an oxidation state of +2 in most of its compounds, but it also exists in the +1 state. (Wikipedia)  Cadmium interacts with many E. coli enzymes in its 2+ cation form. For example, Cd2+ is an activator of threonine dehydrogenase, and an inhibitor of alpha-galactosidase. (EcoCyc)</description>
  <synonyms>
    <synonym>48Cd</synonym>
    <synonym>Cadmio</synonym>
    <synonym>Cadmium</synonym>
    <synonym>Cadmium atom</synonym>
    <synonym>Cadmium elemental</synonym>
    <synonym>Cadmium metallicum</synonym>
    <synonym>Cd</synonym>
    <synonym>Colloidal cadmium</synonym>
    <synonym>Kadmium</synonym>
  </synonyms>
  <chemical_formula>Cd</chemical_formula>
  <average_molecular_weight>112.411</average_molecular_weight>
  <monisotopic_moleculate_weight>113.903358121</monisotopic_moleculate_weight>
  <iupac_name>cadmium(2+) ion</iupac_name>
  <traditional_iupac>cadmium(2+) ion</traditional_iupac>
  <cas_registry_number>7440-43-9</cas_registry_number>
  <smiles>[Cd]</smiles>
  <inchi>InChI=1S/Cd</inchi>
  <inchikey>BDOSMKKIYDKNTQ-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>321 oC</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.07</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>cadmium(2+) ion</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>112.411</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>113.903358121</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Cd]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Cd</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Cd</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>BDOSMKKIYDKNTQ-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>1.78</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>51873</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>51874</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>51875</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>153117</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>153118</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>153119</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB03638</hmdb_id>
  <pubchem_compound_id>23973</pubchem_compound_id>
  <chemspider_id>22410</chemspider_id>
  <kegg_id>C01413</kegg_id>
  <chebi_id>22977</chebi_id>
  <biocyc_id>CD%2b2</biocyc_id>
  <het_id/>
  <wikipidia>Cadmium</wikipidia>
  <foodb_id></foodb_id>
  <general_references>
  </general_references>
  <synthesis_reference></synthesis_reference>
  <msds_url>http://hmdb.ca/system/metabolites/msds/000/003/219/original/HMDB03638.pdf?1358893687</msds_url>
  <enzymes>
    <enzyme>
      <name>Lead, cadmium, zinc and mercury-transporting ATPase</name>
      <uniprot_id>P37617</uniprot_id>
      <uniprot_name>ATZN_ECOLI</uniprot_name>
      <gene_name>zntA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P37617.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
    <enzyme>
      <name>Zinc transporter zupT</name>
      <uniprot_id>P0A8H3</uniprot_id>
      <uniprot_name>ZUPT_ECOLI</uniprot_name>
      <gene_name>zupT</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0A8H3.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Zinc transporter zitB</name>
      <uniprot_id>P75757</uniprot_id>
      <uniprot_name>ZITB_ECOLI</uniprot_name>
      <gene_name>zitB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P75757.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>Ferrous-iron efflux pump fieF</name>
      <uniprot_id>P69380</uniprot_id>
      <uniprot_name>FIEF_ECOLI</uniprot_name>
      <gene_name>fieF</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P69380.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>Adenosine triphosphate + Cadmium + Water &gt; ADP + Hydrogen ion + Phosphate + Cadmium</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Adenosine triphosphate + Cadmium + Water &gt; ADP + Hydrogen ion + Phosphate + Cadmium</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
