<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2015-06-11 11:43:40 -0600</creation_date>
  <update_date>2015-07-23 12:07:31 -0600</update_date>
  <accession>ECMDB23899</accession>
  <m2m_id>M2MDB005697</m2m_id>
  <name>Fe2+</name>
  <description/>
  <synonyms>
    <synonym>Fe(II)</synonym>
    <synonym>Ferrous ion</synonym>
    <synonym>Iron(2+)</synonym>
  </synonyms>
  <chemical_formula>Fe</chemical_formula>
  <average_molecular_weight>55.845</average_molecular_weight>
  <monisotopic_moleculate_weight>55.934942133</monisotopic_moleculate_weight>
  <iupac_name>lambda2-iron(2+) ion</iupac_name>
  <traditional_iupac>lambda2-iron(2+) ion</traditional_iupac>
  <cas_registry_number/>
  <smiles>[Fe++]</smiles>
  <inchi>InChI=1S/Fe/q+2</inchi>
  <inchikey>CWYNVVGOOAEACU-UHFFFAOYSA-N</inchikey>
  <state/>
  <cellular_locations>
  </cellular_locations>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.77</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>4.58</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>lambda2-iron(2+) ion</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>55.845</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>55.934942133</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Fe++]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Fe</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/Fe/q+2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>CWYNVVGOOAEACU-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>
    <pathway>
      <name>Porphyrin and chlorophyll metabolism</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec00860</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>Metabolic pathways</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>eco01100</kegg_map_id>
      <subject/>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>62010</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>62011</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>62012</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>118659</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>118660</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>118661</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id>C14818</kegg_id>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <foodb_id/>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Siroheme synthase</name>
      <uniprot_id>P0AEA8</uniprot_id>
      <uniprot_name>CYSG_ECOLI</uniprot_name>
      <gene_name>cysG</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0AEA8.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Ferrochelatase</name>
      <uniprot_id>P23871</uniprot_id>
      <uniprot_name>HEMH_ECOLI</uniprot_name>
      <gene_name>hemH</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P23871.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Bacterioferritin</name>
      <uniprot_id>P0ABD3</uniprot_id>
      <uniprot_name>BFR_ECOLI</uniprot_name>
      <gene_name>bfr</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0ABD3.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>Protoporphyrin IX + Fe2+ &lt;&gt; Heme +2 Hydrogen ion + Fe2+</reaction_text>
    <kegg_reaction_id>R00310</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Oxygen + 4 Fe2+ + 4 Hydrogen ion + 4 Fe2+ &lt;&gt;4 Fe3+ +2 Water</reaction_text>
    <kegg_reaction_id>R00078</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Oxygen + 4 Fe2+ + 4 Hydrogen ion &lt;&gt;4 Fe3+ +2 Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Protoporphyrin IX + Fe2+ &lt;&gt; Heme +2 Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Oxygen + 4 Fe2+ + 4 Hydrogen ion &lt;&gt;4 Fe3+ +2 Water</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
