<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2011-09-21 00:12:32 UTC</creation_date>
  <update_date>2015-07-21 06:57:10 UTC</update_date>
  <accession>FDB022346</accession>
  <name>Hydrogen phosphate</name>
  <description>The phosphate ion is a polyatomic ion with the empirical formula PO4H and a molecular mass of 94.97 daltons; it consists of one central phosphorus atom surrounded by four identical oxygen atoms in a tetrahedral arrangement. It is a hypervalent molecule (the phosphorus atom has 10 electrons in its valence shell). A phosphate, in inorganic chemistry, is a salt of phosphoric acid. Phosphates are also important in biochemistry and biogeochemistry. In agriculture phosphate refers to one of the three primary plant nutrients, and it is a component of fertilizers. In ecological terms, because of its important role in biological systems, phosphate is a highly sought after resource. Consequently, it is often a limiting reagent in environments, and its availability may govern the rate of growth of organisms. Addition of high levels of phosphate to environments and to micro-environments in which it is typically rare can have significant ecological consequences. In the context of pollution, phosphates are a principal component of total dissolved solids, a major indicator of water quality. [HMDB]</description>
  <synonyms>
    <synonym>[P(OH)O3](2-)</synonym>
    <synonym>[PO3(OH)](2-)</synonym>
    <synonym>ate Dianion</synonym>
    <synonym>ate Ion</synonym>
    <synonym>Biate</synonym>
    <synonym>Biphosphate</synonym>
    <synonym>HPO4(2-)</synonym>
    <synonym>Hydrogen ate</synonym>
    <synonym>Hydrogen ate anion</synonym>
    <synonym>Hydrogen ate dianion</synonym>
    <synonym>Hydrogen ate ion</synonym>
    <synonym>Hydrogen ic acid</synonym>
    <synonym>Hydrogen orthoate</synonym>
    <synonym>Hydrogen orthophosphate</synonym>
    <synonym>Hydrogen phosphate</synonym>
    <synonym>Hydrogen phosphate anion</synonym>
    <synonym>Hydrogen phosphate dianion</synonym>
    <synonym>Hydrogen phosphate ion</synonym>
    <synonym>HYDROGENATE ion</synonym>
    <synonym>HYDROGENic acid ion</synonym>
    <synonym>INORGANIC ATE group</synonym>
    <synonym>INORGANIC ic acid group</synonym>
    <synonym>Monohydrogen ate</synonym>
    <synonym>Monohydrogen phosphate</synonym>
    <synonym>Oric acid ion</synonym>
    <synonym>Phosphate dianion</synonym>
    <synonym>Phosphate ion</synonym>
    <synonym>Phosphoric acid ion</synonym>
  </synonyms>
  <chemical_formula>HO4P</chemical_formula>
  <average_molecular_weight>95.9793</average_molecular_weight>
  <monisotopic_moleculate_weight>95.961245032</monisotopic_moleculate_weight>
  <iupac_name>hydrogen phosphate</iupac_name>
  <traditional_iupac>hydrogen phosphate</traditional_iupac>
  <cas_registry_number>14066-19-4</cas_registry_number>
  <smiles>OP([O-])([O-])=O</smiles>
  <inchi>InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2</inchi>
  <inchikey>NBIIXXVUZAFLBC-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.</description>
    <direct_parent>Non-metal phosphates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal phosphates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal phosphate</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>an inorganic phosphate</external_descriptor>
      <external_descriptor>divalent inorganic anion</external_descriptor>
      <external_descriptor>phosphate ion</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>hydrogen phosphate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>95.9793</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>95.961245032</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OP([O-])([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>HO4P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>NBIIXXVUZAFLBC-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>83.42</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>12.41</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>5.23</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>1</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>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>178224</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>178225</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>178226</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>180540</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>180541</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>180542</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB00973</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>28968</chebi_id>
  <biocyc_id/>
  <het_id>PI</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1, mitochondrial</name>
      <uniprot_id>Q15118</uniprot_id>
      <uniprot_name/>
      <gene_name>PDK1</gene_name>
    </enzyme>
    <enzyme>
      <name>[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3, mitochondrial</name>
      <uniprot_id>Q15120</uniprot_id>
      <uniprot_name/>
      <gene_name>PDK3</gene_name>
    </enzyme>
    <enzyme>
      <name>Pyruvate dehydrogenase kinase, isoenzyme 4</name>
      <uniprot_id>A4D1H4</uniprot_id>
      <uniprot_name/>
      <gene_name>PDK4</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
