<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 05:25:05 UTC</creation_date>
  <update_date>2026-04-06 15:13:22 UTC</update_date>
  <accession/>
  <common_name>Hydrogen phosphate</common_name>
  <class>SmallMolecule</class>
  <description>Hydrogen phosphate (HO4P) is an inorganic compound with an average molecular weight of 95.98 g/mol. Hydrogen phosphate belongs to the non-metal phosphates, a subclass of non-metal oxoanionic compounds within the inorganic compounds. It is further categorized as a homogeneous non-metal compound.

The substance is found in or released from 17 recorded sources across various sectors. Within food, food processing and cookware, it is associated with the preparation of wort, vinegar, and wine or sparkling wine, as well as the processing of fish, molasses, and the treatment of molasses. In the realm of electrical and electronic equipment, it is linked to magnets, power cables, amplifiers, cores yokes or armatures, and thin magnetic films. Additionally, it is found in household cleaning and consumer products, specifically including tobacco product cases, tobacco pipes, pipe accessories, non electric simulated smoking devices, and tobacco product moisture control. In building and construction, it is recorded as being present in roofs.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>HO4P</chemical_formula>
  <average_molecular_weight>95.9793</average_molecular_weight>
  <monisotopic_moleculate_weight>95.961245032</monisotopic_moleculate_weight>
  <iupac_name>phosphoric acid</iupac_name>
  <traditional_iupac>phosphoric acid</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>
    <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>
    <direct_parent>Non-metal phosphates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal phosphate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>phosphoric acids</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Metabolism and Physiological Effects of 3-Deoxyglucosone</name>
      <smpdb_id>SMP0125516</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Mycobacterium tuberculosis pathway</name>
      <smpdb_id>SMP0713862</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Isoniazid Action Pathway</name>
      <smpdb_id>SMP0718080</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Rifampicin Action Pathway</name>
      <smpdb_id>SMP0718081</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Pyrazinamide Action Pathway</name>
      <smpdb_id>SMP0718082</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Ethambutol Action Pathway</name>
      <smpdb_id>SMP0718083</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Streptomycin Tuberculosis Action Pathway</name>
      <smpdb_id>SMP0718084</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_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>phosphoric acid</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>77.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>14.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.81</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>-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72233cca98&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3681305</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
  </targets>
</compound>
