<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 23:21:59 UTC</creation_date>
  <update_date>2020-04-22 15:17:26 UTC</update_date>
  <accession>BMDB0006407</accession>
  <secondary_accessions>
    <accession>BMDB06407</accession>
  </secondary_accessions>
  <name>Selenophosphate</name>
  <description>Phosphoroselenoic acid , also known as phosphoroselenoic acid or phosphoroselenoic acid, belongs to the class of inorganic compounds known as non-metal phosphoroselenoic acids. These are inorganic compounds in which the largest oxoanion is phosphoroselenoic acid, and in which the heaviest atom not in an oxoanion is a non-metal element. Phosphoroselenoic acid is possibly soluble (in water) and an extremely strong acidic compound (based on its pKa). Phosphoroselenoic acid exists in all living organisms, ranging from bacteria to humans. Phosphoroselenoic acid can be biosynthesized from hydrogen selenide; which is mediated by the enzyme selenide, water dikinase 2. In cattle, phosphoroselenoic acid is involved in the metabolic pathway called the selenoamino acid metabolism pathway.</description>
  <synonyms>
    <synonym>[p(OH)3Se]</synonym>
    <synonym>Selenophosphate</synonym>
    <synonym>Selenophosphoric acid</synonym>
    <synonym>Phosphoroselenoate</synonym>
    <synonym>Monoselenophosphoric acid</synonym>
    <synonym>SePO3</synonym>
    <synonym>Trihydroxidoselenidophosphorus</synonym>
  </synonyms>
  <chemical_formula>H3O3PSe</chemical_formula>
  <average_molecular_weight>160.96</average_molecular_weight>
  <monisotopic_moleculate_weight>161.898502302</monisotopic_moleculate_weight>
  <iupac_name>hydroxy(selanylidene)phosphonous acid</iupac_name>
  <traditional_iupac>selenophosphoric acid</traditional_iupac>
  <cas_registry_number/>
  <smiles>OP(O)(O)=[Se]</smiles>
  <inchi>InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)</inchi>
  <inchikey>JRPHGDYSKGJTKZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as non-metal selenophosphates. These are inorganic compounds in which the largest oxoanion is selenophosphate, and in which the heaviest atom not in an oxoanion is a non-metal element.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Other mixed metal/non-metal oxoanionic compounds</class>
    <sub_class>Non-metal selenophosphates</sub_class>
    <direct_parent>Non-metal selenophosphates</direct_parent>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Non-metal selenophosphate</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>phosphoric acid derivative</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Solid</state>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-6.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hydroxy(selanylidene)phosphonous acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>160.96</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>161.898502302</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OP(O)(O)=[Se]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H3O3PSe</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JRPHGDYSKGJTKZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>60.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>26.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>7.23</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>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-3</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::MsIr</type>
      <spectrum_id>2070</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>15002</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>136167</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>143901</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>23129</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>23130</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>23131</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29927</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29928</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>29929</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2733900</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2733901</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2733902</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2971608</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2971609</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2971610</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <chemspider_id>1061</chemspider_id>
  <foodb_id>FDB023234</foodb_id>
  <chebi_id>29269</chebi_id>
  <pubchem_compound_id>1092</pubchem_compound_id>
  <drugbank_id/>
  <knapsack_id/>
  <kegg_id>C05172</kegg_id>
  <pdbe_id/>
  <meta_cyc_id/>
  <phenol_explorer_compound_id/>
  <bigg_id/>
  <wikipedia_id/>
  <metlin_id/>
  <synthesis_reference/>
  <general_references>
  </general_references>
  <protein_associations>
    <protein>
      <protein_accession>BMDBP00614</protein_accession>
      <name>Selenide, water dikinase 1</name>
      <uniprot_id>Q0VC82</uniprot_id>
      <gene_name>SEPHS1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
  </protein_associations>
</metabolite>
