<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-10-10 12:11:55 -0600</creation_date>
  <update_date>2015-10-02 02:25:50 -0600</update_date>
  <accession>ECMDB23004</accession>
  <m2m_id>M2MDB003394</m2m_id>
  <name>CO</name>
  <description>Carbon monoxide, with the chemical formula CO, is a colorless, odorless, and tasteless gas. It consists of one carbon atom covalently bonded to one oxygen atom. It is a gas at room temperature. Carbon monoxide is an intermediate in 4-amino-2-methyl-5-diphosphomethylpyrimidine biosynthesis in E. coli. It is a product for enzyme HMP-P synthase which catalyzes the chemical reaction 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole + S-adenosyl-L-methionine -&gt; 4-amino-2-methyl-5-phosphomethylpyrimidine + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ (EcoCyc compound: CARBON-MONOXIDE).</description>
  <synonyms>
    <synonym>Carbon monoxide</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>124-38-9</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/CO/c1-2</inchi>
  <inchikey>UGFAIRIUMAVXCW-UHFFFAOYSA-N</inchikey>
  <state>Liquid</state>
  <cellular_locations>
    <cellular_location>Cytoplasm</cellular_location>
    <cellular_location> Extracellular</cellular_location>
  </cellular_locations>
  <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>solubility</kind>
      <value>6.37e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>-56.5 C</value>
    </property>
  </experimental_properties>
  <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>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>
  <pathways>
    <pathway>
      <name>Thiamine metabolism</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec00730</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>Metabolic pathways</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>eco01100</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>Thiamin diphosphate biosynthesis</name>
      <description/>
      <pathwhiz_id>PW002028</pathwhiz_id>
      <kegg_map_id/>
      <subject>Metabolic</subject>
    </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>
  <hmdb_id>HMDB01361</hmdb_id>
  <pubchem_compound_id>281</pubchem_compound_id>
  <chemspider_id/>
  <kegg_id>C00237</kegg_id>
  <chebi_id>17245</chebi_id>
  <biocyc_id/>
  <het_id>CMO</het_id>
  <wikipidia>Carbon monoxide</wikipidia>
  <foodb_id>FDB022578</foodb_id>
  <general_references>
  </general_references>
  <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>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Phosphomethylpyrimidine synthase</name>
      <uniprot_id>P30136</uniprot_id>
      <uniprot_name>THIC_ECOLI</uniprot_name>
      <gene_name>thiC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P30136.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>5-Aminoimidazole ribonucleotide + S-adenosyl-L-methionine &gt; 4-Amino-2-methyl-5-phosphomethylpyrimidine + 5'-Deoxyadenosine + L-Methionine + Formic acid + CO</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>Quercetin + Oxygen &gt; 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + Hydrogen ion</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>4-Amino-5-hydroxymethyl-2-methylpyrimidine + S-Adenosylmethionine &lt;&gt; 5-Aminoimidazole ribonucleotide + 4-Amino-2-methyl-5-phosphomethylpyrimidine + 5'-Deoxyadenosine + L-Methionine + Formic acid + CO</reaction_text>
    <kegg_reaction_id>R03472</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>5-Aminoimidazole ribonucleotide + S-adenosyl-L-methionine &gt;3 Hydrogen ion + CO + Formic acid + L-Methionine + 5'-Deoxyadenosine + 4-amino-2-methyl-5-phosphomethylpyrimidine</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id>PW_R005931</pw_reaction_id>
    <reaction_text>4 4-Amino-5-hydroxymethyl-2-methylpyrimidine + S-Adenosylmethionine &lt;&gt;5 5-Aminoimidazole ribonucleotide +4 4-Amino-2-methyl-5-phosphomethylpyrimidine +5 5'-Deoxyadenosine + L-Methionine + Formic acid + CO</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>4 4-Amino-5-hydroxymethyl-2-methylpyrimidine + S-Adenosylmethionine &lt;&gt;5 5-Aminoimidazole ribonucleotide +4 4-Amino-2-methyl-5-phosphomethylpyrimidine +5 5'-Deoxyadenosine + L-Methionine + Formic acid + CO</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
