<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-05-31 14:49:53 -0600</creation_date>
  <update_date>2015-06-03 17:20:11 -0600</update_date>
  <accession>ECMDB20543</accession>
  <m2m_id>M2MDB001350</m2m_id>
  <name>D-Myo-inositol (1)-monophosphate</name>
  <description>D-myo-inositol (1)-monophosphate is the D-isomer of myo-inositol 1-phosphate. It is a constituent of phospholipids and inositol polyphosphates. (EcoCyc)  D-myo-inositol (1)-monophosphate can be converted to myo-inositol through the action of the enzyme myo-inositol-1(or 4)-monophosphatase (an inositol monophosphatase) (EC:3.1.3.25). (KEGG)</description>
  <synonyms>
    <synonym>1-D-&lt;i&gt;myo&lt;/i&gt;-inositol-1-p</synonym>
    <synonym>1-D-Myo-inositol-1-P</synonym>
    <synonym>1D-&lt;i&gt;myo&lt;/i&gt;-inositol 1-phosphate</synonym>
    <synonym>1D-Myo-inositol 1-(dihydrogen phosphate)</synonym>
    <synonym>1D-myo-Inositol 1-(dihydrogen phosphoric acid)</synonym>
    <synonym>1D-Myo-Inositol 1-monophosphate</synonym>
    <synonym>1D-myo-Inositol 1-monophosphoric acid</synonym>
    <synonym>1D-Myo-Inositol 1-phosphate</synonym>
    <synonym>1D-Myo-inositol 1-phosphoric acid</synonym>
    <synonym>1D-myo-Inositol 1-phosphoric acid</synonym>
    <synonym>D-&lt;i&gt;myo&lt;/i&gt;-inositol (1)-monophosphate</synonym>
    <synonym>D-myo-Inositol (1)-monophosphoric acid</synonym>
    <synonym>D-Myo-inositol (1)-monophosphoric acid</synonym>
    <synonym>D-Myo-Inositol 1-phosphate</synonym>
    <synonym>D-myo-Inositol 1-phosphoric acid</synonym>
    <synonym>D-Myo-Inositol, 1-(dihydrogen phosphate)</synonym>
    <synonym>D-myo-Inositol, 1-(dihydrogen phosphoric acid)</synonym>
    <synonym>D-Myo-Inositol, 3-(dihydrogen phosphate)</synonym>
    <synonym>D-myo-Inositol, 3-(dihydrogen phosphoric acid)</synonym>
    <synonym>D-Myo-Inositol-1-Phosphate Inositol 1-monophosphate</synonym>
    <synonym>D-myo-Inositol-1-phosphoric acid inositol 1-monophosphoric acid</synonym>
    <synonym>Inositol 1-monophosphate</synonym>
    <synonym>Inositol 1-monophosphoric acid</synonym>
    <synonym>Inositol 1-phosphate</synonym>
    <synonym>Inositol 1-phosphoric acid</synonym>
    <synonym>Inositol 3-phosphate</synonym>
    <synonym>Inositol 3-phosphoric acid</synonym>
    <synonym>Ins(1)P</synonym>
    <synonym>Ins(1)P1</synonym>
    <synonym>Ins(1)P&lt;sub&gt;1&lt;/sub&gt;</synonym>
    <synonym>Ins1P</synonym>
    <synonym>IPD</synonym>
    <synonym>Myo-Inositol 1-phosphate</synonym>
    <synonym>myo-Inositol 1-phosphoric acid</synonym>
    <synonym>Myoinositol 1-phosphate</synonym>
    <synonym>Myoinositol 1-phosphoric acid</synonym>
    <synonym>Myoinositol 3-phosphate</synonym>
    <synonym>Myoinositol 3-phosphoric acid</synonym>
  </synonyms>
  <chemical_formula>C6H13O9P</chemical_formula>
  <average_molecular_weight>260.1358</average_molecular_weight>
  <monisotopic_moleculate_weight>260.029718526</monisotopic_moleculate_weight>
  <iupac_name>{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid</iupac_name>
  <traditional_iupac>[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid</traditional_iupac>
  <cas_registry_number>15421-51-9</cas_registry_number>
  <smiles>[H]C1(O)[C@]([H])(O)[C@@]([H])(O)C([H])(OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O</smiles>
  <inchi>InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1</inchi>
  <inchikey>INAPMGSXUVUWAF-GCVPSNMTSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location>Cytoplasm</cellular_location>
    <cellular_location>Periplasm</cellular_location>
  </cellular_locations>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.98</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.82</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.95e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-3.9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.16</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>260.1358</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>260.029718526</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[H]C1(O)[C@]([H])(O)[C@@]([H])(O)C([H])(OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H13O9P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>INAPMGSXUVUWAF-GCVPSNMTSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>167.91</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>46.65</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>20.63</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
    <pathway>
      <name>Inositol phosphate metabolism</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec00562</kegg_map_id>
      <subject/>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1083798</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319351</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319352</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319353</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319354</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319355</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319356</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319357</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319358</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319359</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319360</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319361</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319362</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319363</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319364</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319365</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319366</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319367</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319368</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319369</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>319370</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>26903</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>26904</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>26905</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33461</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33462</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33463</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id></hmdb_id>
  <pubchem_compound_id>107737</pubchem_compound_id>
  <chemspider_id>96903</chemspider_id>
  <kegg_id>C01177</kegg_id>
  <chebi_id>18297</chebi_id>
  <biocyc_id>D-MYO-INOSITOL-1-MONOPHOSPHATE</biocyc_id>
  <het_id/>
  <wikipidia></wikipidia>
  <foodb_id></foodb_id>
  <general_references>
    <reference>
      <reference_text>Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590.</reference_text>
      <pubmed_id>21097882</pubmed_id>
    </reference>
    <reference>
      <reference_text>Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114.</reference_text>
      <pubmed_id>22080510</pubmed_id>
    </reference>
    <reference>
      <reference_text>van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25.</reference_text>
      <pubmed_id>17765195</pubmed_id>
    </reference>
  </general_references>
  <synthesis_reference></synthesis_reference>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Inositol-1-monophosphatase</name>
      <uniprot_id>P0ADG4</uniprot_id>
      <uniprot_name>SUHB_ECOLI</uniprot_name>
      <gene_name>suhB</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0ADG4.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>Water + D-Myo-inositol (1)-monophosphate &gt; Phosphate + Inositol</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id>RXN0-5408</ecocyc_id>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
