<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 22:45:39 UTC</creation_date>
  <update_date>2020-04-22 15:08:06 UTC</update_date>
  <accession>BMDB0001417</accession>
  <secondary_accessions>
    <accession>BMDB01417</accession>
  </secondary_accessions>
  <name>Permanganate</name>
  <description/>
  <synonyms>
    <synonym>[MnO3(OH)]</synonym>
    <synonym>HMnO4</synonym>
    <synonym>Mangan(VII)-saeure</synonym>
    <synonym>Manganic(VII) acid</synonym>
    <synonym>Permangansaeure</synonym>
    <synonym>Uebermangansaeure</synonym>
    <synonym>Permanganic acid</synonym>
    <synonym>MnO4(1-)</synonym>
    <synonym>Permanganate</synonym>
  </synonyms>
  <chemical_formula>HMnO4</chemical_formula>
  <average_molecular_weight>119.942</average_molecular_weight>
  <monisotopic_moleculate_weight>119.925528</monisotopic_moleculate_weight>
  <iupac_name>manganesoylol</iupac_name>
  <traditional_iupac>permanganic acid</traditional_iupac>
  <cas_registry_number>13465-41-3</cas_registry_number>
  <smiles>O[Mn](=O)(=O)=O</smiles>
  <inchi>InChI=1S/Mn.H2O.3O/h;1H2;;;/q+1;;;;/p-1</inchi>
  <inchikey>ZJBYBXHCMWGGRR-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as inorganic oxides. These are inorganic chemical compounds with one or more oxygen atoms combined with another element.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Miscellaneous inorganic compounds</super_class>
    <class>Inorganic oxides</class>
    <sub_class/>
    <direct_parent>Inorganic oxides</direct_parent>
    <alternative_parents>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>manganese oxoacid</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Solid</state>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>manganesoylol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>119.942</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>119.925528</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O[Mn](=O)(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>HMnO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Mn.H2O.3O/h;1H2;;;/q+1;;;;/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZJBYBXHCMWGGRR-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>71.44</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>6.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>6.31</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>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1273999</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1274000</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1274001</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1388983</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1388984</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1388985</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2370767</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2370768</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2370769</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2568400</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2568401</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2568402</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>164484</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <foodb_id>FDB022610</foodb_id>
  <chemspider_id>374116</chemspider_id>
  <pubchem_compound_id>422689</pubchem_compound_id>
  <kegg_id/>
  <chebi_id>35124</chebi_id>
  <drugbank_id/>
  <phenol_explorer_compound_id/>
  <meta_cyc_id/>
  <wikipedia_id>Permanganate</wikipedia_id>
  <knapsack_id/>
  <bigg_id/>
  <metlin_id/>
  <pdbe_id/>
  <synthesis_reference>Atanasiu, Ion A.; Lazar, Lya B.; Constantinescu, Maria.  Preparation of permanganate by both direct current and alternating current anodic dissolution of manganese and its alloys.    Buletinul Institutului Politehnic Gheorghe Gheorghiu-Dej Bucuresti  (1967),  29(1),  49-57.  </synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
  </protein_associations>
</metabolite>
