<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 22:44:42 UTC</creation_date>
  <update_date>2020-04-22 15:07:49 UTC</update_date>
  <accession>BMDB0001361</accession>
  <secondary_accessions>
    <accession>BMDB01361</accession>
  </secondary_accessions>
  <name>Carbon monoxide</name>
  <description>Carbon monoxide, also known as Carbon monoxide or C#O, belongs to the class of inorganic carbon monoxidempounds known as homogeneous other non-metal carbon monoxidempounds. These are inorganic non-metallic carbon monoxidempounds in which the largest atom belongs to the class of 'other non-metals'. Carbon monoxide is a drug which is used as a marker of respiratory status in spirometry tests [l2557], [f4].</description>
  <synonyms>
    <synonym>[CO]</synonym>
    <synonym>C#O</synonym>
    <synonym>CO</synonym>
    <synonym>Monoxide, carbon</synonym>
  </synonyms>
  <chemical_formula>CO</chemical_formula>
  <average_molecular_weight>28.01</average_molecular_weight>
  <monisotopic_moleculate_weight>27.99491462</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>630-08-0</cas_registry_number>
  <smiles>[C-]#[O+]</smiles>
  <inchi>InChI=1S/CO/c1-2</inchi>
  <inchikey>UGFAIRIUMAVXCW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Homogeneous other non-metal compounds</class>
    <sub_class/>
    <direct_parent>Homogeneous other non-metal compounds</direct_parent>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Homogeneous other non metal</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>carbon oxide</external_descriptor>
      <external_descriptor>one-carbon compound</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Liquid</state>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.06</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.11</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>28.01</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>27.99491462</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[C-]#[O+]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CO/c1-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UGFAIRIUMAVXCW-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>26.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>1.94</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>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>
    <pathway>
      <name>Porphyrin Metabolism</name>
      <smpdb_id>SMP0087243</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>756</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>99069</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>99070</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>99071</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>164148</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>164149</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>164150</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
  </normal_concentrations>
  <kegg_id>C00237</kegg_id>
  <foodb_id>FDB022578</foodb_id>
  <drugbank_id>DB11588</drugbank_id>
  <chemspider_id>275</chemspider_id>
  <pubchem_compound_id>281</pubchem_compound_id>
  <chebi_id>17245</chebi_id>
  <pdbe_id/>
  <meta_cyc_id>CARBON-MONOXIDE</meta_cyc_id>
  <wikipedia_id>Carbon_monoxide</wikipedia_id>
  <phenol_explorer_compound_id/>
  <knapsack_id/>
  <bigg_id>1749973</bigg_id>
  <metlin_id/>
  <synthesis_reference>Ivanova, Svetlana; Pitchon, Veronique; Petit, Corinne. Application of the direct exchange method in the preparation of gold catalysts supported on different oxide materials. Journal of Molecular Catalysis A: Chemical (2006), 256(1-2), 278-283.</synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
    <protein>
      <protein_accession>BMDBP01344</protein_accession>
      <name>Calcium-activated potassium channel subunit alpha-1</name>
      <uniprot_id>Q28204</uniprot_id>
      <gene_name>KCNMA1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
  </protein_associations>
</metabolite>
