<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 22:53:53 UTC</creation_date>
  <update_date>2020-04-22 15:10:35 UTC</update_date>
  <accession>BMDB0002306</accession>
  <secondary_accessions>
    <accession>BMDB02306</accession>
  </secondary_accessions>
  <name>Hydrochloric acid</name>
  <description/>
  <synonyms>
    <synonym>[HCL]</synonym>
    <synonym>Chlorure d'hydrogene</synonym>
    <synonym>Chlorwasserstoff</synonym>
    <synonym>Cloruro de hidrogeno</synonym>
    <synonym>HCl</synonym>
    <synonym>Hydrochloride</synonym>
    <synonym>Hydrogenchlorid</synonym>
    <synonym>Wasserstoffchlorid</synonym>
    <synonym>Hydrogen chloride</synonym>
    <synonym>Hydrochlate</synonym>
    <synonym>Hydrochlic acid</synonym>
    <synonym>Anhydrous hydrochloric acid</synonym>
    <synonym>Aqueous hydrogen chloride</synonym>
    <synonym>Chlorane</synonym>
    <synonym>Chlorohydric acid</synonym>
    <synonym>HCL]</synonym>
    <synonym>Hydrochloric acid (JP15/nf)</synonym>
    <synonym>Hydrochloric acid gas</synonym>
    <synonym>Hydrogen chloric anhydrous</synonym>
    <synonym>Hydrogen chloride (acid)</synonym>
    <synonym>Hydrogen chloride (HCL)</synonym>
    <synonym>Hydrogen chloride anhydrous</synonym>
    <synonym>Marine acid</synonym>
    <synonym>Muriatic acid</synonym>
    <synonym>Spirit OF salt</synonym>
    <synonym>Acid, muriatic</synonym>
    <synonym>Acid, hydrochloric</synonym>
    <synonym>Chloride, hydrogen</synonym>
  </synonyms>
  <chemical_formula>ClH</chemical_formula>
  <average_molecular_weight>36.461</average_molecular_weight>
  <monisotopic_moleculate_weight>35.976677739</monisotopic_moleculate_weight>
  <iupac_name>hydrogen chloride</iupac_name>
  <traditional_iupac>hydrogen chloride</traditional_iupac>
  <cas_registry_number>7647-01-0</cas_registry_number>
  <smiles>Cl</smiles>
  <inchi>InChI=1S/ClH/h1H</inchi>
  <inchikey>VEXZGXHMUGYJMC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Halogen organides</class>
    <sub_class>Halogen hydrides</sub_class>
    <direct_parent>Halogen hydrides</direct_parent>
    <alternative_parents>
      <alternative_parent>Inorganic hydrides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Halogen hydride</substituent>
      <substituent>Inorganic hydride</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>chlorine molecular entity</external_descriptor>
      <external_descriptor>hydrogen halide</external_descriptor>
      <external_descriptor>mononuclear parent hydride</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Solid</state>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.61</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hydrogen chloride</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>36.461</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>35.976677739</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>ClH</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/ClH/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VEXZGXHMUGYJMC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>6.42</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>2.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</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::CMs</type>
      <spectrum_id>23801</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>174384</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>101829</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>101830</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>101831</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>167517</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>167518</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>167519</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>439824</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>439825</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>449892</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2309958</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2309959</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2309960</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2655587</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2655588</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2655589</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <foodb_id>FDB016076</foodb_id>
  <kegg_id>C01327</kegg_id>
  <drugbank_id>DB13366</drugbank_id>
  <pubchem_compound_id>313</pubchem_compound_id>
  <chemspider_id>307</chemspider_id>
  <chebi_id>17883</chebi_id>
  <pdbe_id/>
  <meta_cyc_id>HCL</meta_cyc_id>
  <wikipedia_id>Hydrochloric_acid</wikipedia_id>
  <phenol_explorer_compound_id/>
  <knapsack_id/>
  <bigg_id/>
  <metlin_id/>
  <synthesis_reference>Suzuta, Tetsuya; Mori, Yasuhiko; Abe, Tadashi.  method to produce chlorine and hydrochloric acid.    Jpn. Kokai Tokkyo Koho  (2005),     13 pp.</synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
    <protein>
      <protein_accession>BMDBP02561</protein_accession>
      <name>Secretin</name>
      <uniprot_id>P63296</uniprot_id>
      <gene_name>SCT</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
  </protein_associations>
</metabolite>
