<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-10-10 12:22:51 -0600</creation_date>
  <update_date>2015-06-03 17:26:12 -0600</update_date>
  <accession>ECMDB23225</accession>
  <m2m_id>M2MDB003615</m2m_id>
  <name>CMP</name>
  <description>CMP or Cytidine monophosphate, also known as 5'-cytidylic acid or simply cytidylate is a nucleotide that is used as a monomer in RNA. It is an ester of phosphoric acid with the nucleoside cytidine. CMP consists of a phosphate group, a pentose sugar ribose and the nucleobase cytosine; hence it is a ribonucleoside monophosphate. CMP can be phosphorylated to cytidine diphosphate by the enzyme CMP kinase, with Adenosine triphosphate or guanine triphosphate donating the phosphate group. CMP is used to activate mannose in metabolism.</description>
  <synonyms>
    <synonym>(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane</synonym>
    <synonym>(2,5-Dichlorophenyl)sulphanylmethylsulphanyl-diethoxy-sulphanylidene-$l^{5}-phosphane</synonym>
    <synonym>5'-CMP</synonym>
    <synonym>5'-Cytidylate</synonym>
    <synonym>5'-cytidylic acid</synonym>
    <synonym>5-Cytidylate</synonym>
    <synonym>5-Cytidylic acid</synonym>
    <synonym>C</synonym>
    <synonym>Cytidine 5'-monophosphate</synonym>
    <synonym>Cytidine 5'-monophosphorate</synonym>
    <synonym>Cytidine 5'-monophosphoric acid</synonym>
    <synonym>Cytidine 5'-phosphate</synonym>
    <synonym>Cytidine 5'-phosphorate</synonym>
    <synonym>Cytidine 5'-phosphoric acid</synonym>
    <synonym>Cytidine mono(dihydrogen phosphate)</synonym>
    <synonym>Cytidine mono(dihydrogen phosphoric acid)</synonym>
    <synonym>Cytidine monophosphate</synonym>
    <synonym>Cytidine monophosphoric acid</synonym>
    <synonym>Cytidine-5'-monophosphate</synonym>
    <synonym>Cytidine-5'-monophosphoric acid</synonym>
    <synonym>Cytidine-5'-phosphate</synonym>
    <synonym>Cytidine-5'-phosphoric acid</synonym>
    <synonym>Cytidine-monophosphate</synonym>
    <synonym>Cytidine-monophosphoric acid</synonym>
    <synonym>Cytidine-P</synonym>
    <synonym>Cytidine-phosphate</synonym>
    <synonym>Cytidine-phosphoric acid</synonym>
    <synonym>Cytidylate</synonym>
    <synonym>Cytidylic acid</synonym>
  </synonyms>
  <chemical_formula>C11H15Cl2O2PS3</chemical_formula>
  <average_molecular_weight>377.31</average_molecular_weight>
  <monisotopic_moleculate_weight>375.93488372</monisotopic_moleculate_weight>
  <iupac_name>O,O-diethyl ({[(2,5-dichlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate</iupac_name>
  <traditional_iupac>O,O-diethyl {[(2,5-dichlorophenyl)sulfanyl]methyl}sulfanylphosphonothioate</traditional_iupac>
  <cas_registry_number>63-37-6</cas_registry_number>
  <smiles>CCOP(=S)(OCC)SCSC1=C(Cl)C=CC(Cl)=C1</smiles>
  <inchi>InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3</inchi>
  <inchikey>GGNLTHFTYNDYNK-UHFFFAOYSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location> Extracellular</cellular_location>
    <cellular_location> golgi apparatus</cellular_location>
    <cellular_location> lysosome</cellular_location>
    <cellular_location> mitochondria</cellular_location>
    <cellular_location> nucleus</cellular_location>
    <cellular_location>Cytoplasm (Predicted from LogP)</cellular_location>
    <cellular_location>Membrane</cellular_location>
  </cellular_locations>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.92</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.62</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.01e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>233 C</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>5.5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>O,O-diethyl ({[(2,5-dichlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>377.31</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>375.93488372</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CCOP(=S)(OCC)SCSC1=C(Cl)C=CC(Cl)=C1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C11H15Cl2O2PS3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GGNLTHFTYNDYNK-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>18.46</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>93.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>36.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>8</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>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>2265</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334798</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334799</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334800</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334801</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334802</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334803</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334804</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334805</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334806</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334807</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334808</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334809</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334810</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334811</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334812</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334813</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334814</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334815</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334816</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>334817</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24875</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24876</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24877</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31433</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31434</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31435</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB00095</hmdb_id>
  <pubchem_compound_id>6131</pubchem_compound_id>
  <chemspider_id/>
  <kegg_id>C19010</kegg_id>
  <chebi_id>17361</chebi_id>
  <biocyc_id>CMP</biocyc_id>
  <het_id/>
  <wikipidia>Cytidine monophosphate</wikipidia>
  <foodb_id>FDB011882</foodb_id>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
