<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2020-04-17 19:23:40 UTC</creation_date>
  <update_date>2020-12-07 19:11:49 UTC</update_date>
  <accession>CDB005243</accession>
  <secondary_accessions>
  </secondary_accessions>
  <name>Fe3+</name>
  <description>Fe3+, also known as ferric ion or fe(iii), belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Fe3+ is possibly neutral. In humans, fe3+ is involved in gemcitabine metabolism pathway. Outside of the human body, Fe3+ has been detected, but not quantified in, several different foods, such as sparkleberries, orange mints, butternut squash, onion-family vegetables, and elliott's blueberries. This could make fe3+ a potential biomarker for the consumption of these foods. Fe3+ is expected to be in Cannabis as all living plants are known to produce and metabolize it.</description>
  <synonyms>
    <synonym>FE (III) ion</synonym>
    <synonym>Fe(III)</synonym>
    <synonym>Fe(3+)</synonym>
    <synonym>Ferric ion</synonym>
    <synonym>Ferric iron</synonym>
    <synonym>Iron, ion (fe(3+))</synonym>
    <synonym>Iron(3+)</synonym>
  </synonyms>
  <chemical_formula>Fe</chemical_formula>
  <average_molecular_weight>55.85</average_molecular_weight>
  <monisotopic_molecular_weight>55.9349</monisotopic_molecular_weight>
  <iupac_name>iron(3+) ion</iupac_name>
  <traditional_iupac>iron(3+) ion</traditional_iupac>
  <cas_registry_number>7439-89-6</cas_registry_number>
  <smiles>[Fe+3]</smiles>
  <inchi>InChI=1S/Fe/q+3</inchi>
  <inchikey>VTLYFUHAOXGGBS-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.</description>
    <direct_parent>Homogeneous transition metal compounds</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous metal compounds</super_class>
    <class>Homogeneous transition metal compounds</class>
    <sub_class/>
    <molecular_framework/>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Homogeneous transition metal</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>a cation</external_descriptor>
      <external_descriptor>iron cation</external_descriptor>
      <external_descriptor>monoatomic trication</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>1538 °C</value>
      <source/>
    </property>
  </experimental_properties>
  <predicted_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>iron(3+) ion</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>55.85</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>55.9349</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Fe+3]</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+3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VTLYFUHAOXGGBS-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>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>number_of_rings</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>bioavailability</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rule_of_five</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>ghose_filter</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>veber_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mddr_like_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <kegg_id>C14819</kegg_id>
  <drugbank_id/>
  <foodb_id>FDB029221</foodb_id>
  <chemspider_id/>
  <pdb_id/>
  <chebi_id>29034</chebi_id>
  <pubchem_compound_id>29936</pubchem_compound_id>
  <phenol_explorer_compound_id/>
  <knapsack_id/>
  <biocyc_id>FE%2b3</biocyc_id>
  <bigg_id/>
  <wikipedia_id>Iron(III)</wikipedia_id>
  <metlin_id/>
  <general_references>
  </general_references>
</compound>

