<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2011-09-21 00:36:46 UTC</creation_date>
  <update_date>2015-07-21 06:57:56 UTC</update_date>
  <accession>FDB023912</accession>
  <name>Selenophosphate</name>
  <description>Selenophosphate is the universal selenium donor that is required for the formation of selenium dependent enzymes and selenium tRNAs (i.e.: selenocysteyl-tRNA). Selenophosphate is also the selenium donor used to synthesize selenocysteine, which is co-translationally incorporated into selenoproteins at in-frame UGA codons. Selenophosphate synthetase (EC 2.7.9.3, human SPS1, product of the selD gene) produces monoselenophosphate from selenide and ATP. The SPS1-encoded enzyme depends on a selenium salvage system that recycles L-selenocysteine. Selenophosphate synthetase genes play a role in cancer cell's response to ionizing radiation and its reaction product, selenophosphate, might be involved in cancer prevention in a p53-dependent manner and could be applied to development of a novel cancer therapy. (PMID: 8986768, 10609888, 16786570) [HMDB]</description>
  <synonyms>
    <synonym>Dihydroxy-oxido-selanylideneorane</synonym>
    <synonym>dihydroxy-oxido-selanylidenephosphorane</synonym>
    <synonym>Orus monoselenide</synonym>
    <synonym>Orus selenide (pse)</synonym>
    <synonym>Phosphorus monoselenide</synonym>
    <synonym>Phosphorus selenide (PSe)</synonym>
    <synonym>Selenoxo-ino</synonym>
    <synonym>selenoxo-phosphino</synonym>
  </synonyms>
  <chemical_formula>H2O3PSe</chemical_formula>
  <average_molecular_weight>159.95</average_molecular_weight>
  <monisotopic_moleculate_weight>160.89067727</monisotopic_moleculate_weight>
  <iupac_name>hydrogen hydroxy(selanylidene)phosphonite</iupac_name>
  <traditional_iupac>hydrogen hydroxy(selanylidene)phosphonite</traditional_iupac>
  <cas_registry_number>289702-60-9</cas_registry_number>
  <smiles>OP(O)([O-])=[Se]</smiles>
  <inchi>InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1</inchi>
  <inchikey>JRPHGDYSKGJTKZ-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as non-metal phosphonates. These are inorganic non-metallic compounds containing a phosphonate as its largest oxoanion.</description>
    <direct_parent>Non-metal phosphonates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal phosphonates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal phosphonate</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_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>hydrogen hydroxy(selanylidene)phosphonite</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>159.95</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>160.89067727</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OP(O)([O-])=[Se]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>H2O3PSe</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>JRPHGDYSKGJTKZ-UHFFFAOYSA-M</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>63.52</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>25.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.87</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>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
    <pathway>
      <name>Selenoamino Acid Metabolism</name>
      <smpdb_id>SMP00029</smpdb_id>
      <kegg_map_id>map00450</kegg_map_id>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27590</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27591</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27592</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34148</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34149</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34150</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB06407</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce31f8bb28&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31f8b970&gt;</reference>
    <reference>#&lt;Reference:0x000055ce31f8b7b8&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>O-phosphoseryl-tRNA(Sec) selenium transferase</name>
      <uniprot_id>Q9HD40</uniprot_id>
      <uniprot_name/>
      <gene_name>SEPSECS</gene_name>
    </enzyme>
    <enzyme>
      <name>Selenide, water dikinase 1</name>
      <uniprot_id>P49903</uniprot_id>
      <uniprot_name/>
      <gene_name>SEPHS1</gene_name>
    </enzyme>
    <enzyme>
      <name>Selenide, water dikinase 2</name>
      <uniprot_id>Q99611</uniprot_id>
      <uniprot_name/>
      <gene_name>SEPHS2</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
