<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 22:52:11 UTC</creation_date>
  <update_date>2020-04-22 15:10:03 UTC</update_date>
  <accession>BMDB0002179</accession>
  <secondary_accessions>
    <accession>BMDB02179</accession>
  </secondary_accessions>
  <name>Peroxynitrite</name>
  <description/>
  <synonyms>
    <synonym>[NO(OOH)]</synonym>
    <synonym>HNO(O2)</synonym>
    <synonym>[No(oo)](-)</synonym>
    <synonym>Peroxonitrite</synonym>
    <synonym>(-)Oxoperoxonitrate</synonym>
    <synonym>(1-)Oxidoperoxidonitrate</synonym>
    <synonym>Azoperoxoite</synonym>
    <synonym>Pernitrite</synonym>
    <synonym>Peroxynitrate</synonym>
    <synonym>Peroxynitrosyl (NO3)</synonym>
    <synonym>Acid, peroxynitrous</synonym>
    <synonym>Peroxynitrites</synonym>
    <synonym>Peroxonitrites</synonym>
    <synonym>Peroxynitrous acids</synonym>
    <synonym>Peroxynitrous acid</synonym>
    <synonym>Peroxynitrous acid, potassium salt</synonym>
    <synonym>Acids, peroxynitrous</synonym>
    <synonym>Peroxynitrite</synonym>
  </synonyms>
  <chemical_formula>HNO3</chemical_formula>
  <average_molecular_weight>63.012</average_molecular_weight>
  <monisotopic_moleculate_weight>62.995642896</monisotopic_moleculate_weight>
  <iupac_name>hydroxy nitrite</iupac_name>
  <traditional_iupac>peroxynitrous acid</traditional_iupac>
  <cas_registry_number>14691-52-2</cas_registry_number>
  <smiles>OON=O</smiles>
  <inchi>InChI=1S/HNO3/c2-1-4-3/h3H</inchi>
  <inchikey>CMFNMSMUKZHDEY-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as non-metal peroxynitrites. These are inorganic non-metallic compounds containing a peroxynitrite as its largest oxoanion.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal peroxynitrites</sub_class>
    <direct_parent>Non-metal peroxynitrites</direct_parent>
    <alternative_parents>
      <alternative_parent>Inorganic nitrites</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic nitrite</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal peroxynitrite</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>nitrogen oxoacid</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Solid</state>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>6.55</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-5.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hydroxy nitrite</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>63.012</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>62.995642896</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OON=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>HNO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/HNO3/c2-1-4-3/h3H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CMFNMSMUKZHDEY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>58.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>10.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>3.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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::MsMs</type>
      <spectrum_id>1294312</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1294313</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1294314</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1408972</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1408973</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1408974</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2465385</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2465386</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2465387</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2496668</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2496669</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2496670</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>1664</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>1665</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>152745</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <foodb_id>FDB022889</foodb_id>
  <chemspider_id>109951</chemspider_id>
  <pubchem_compound_id>123349</pubchem_compound_id>
  <kegg_id>C16845</kegg_id>
  <chebi_id>25942</chebi_id>
  <drugbank_id/>
  <phenol_explorer_compound_id/>
  <meta_cyc_id/>
  <wikipedia_id>Peroxynitrite</wikipedia_id>
  <knapsack_id/>
  <bigg_id/>
  <metlin_id/>
  <pdbe_id/>
  <synthesis_reference>Niles, Jacquin C.; Wishnok, John S.; Tannenbaum, Steven R. A Novel Nitration Product Formed during the Reaction of Peroxynitrite with 2',3',5'-Tri-O-acetyl-7,8-dihydro-8-oxoguanosine: N-Nitro-N'-[1-(2,3,5-Tri-O-acetyl-b-D-erythro-pentofuranosyl)-2,4-dioxo</synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
  </protein_associations>
</metabolite>
