<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2011-09-21 00:25:31 UTC</creation_date>
  <update_date>2015-07-21 06:57:33 UTC</update_date>
  <accession>FDB023159</accession>
  <name>Triphosphate(5-)</name>
  <description>A human metabolite taken as a putative food compound of mammalian origin [HMDB]</description>
  <synonyms>
    <synonym>Bis(tetraoxidoato)dioxidoate(5-)</synonym>
    <synonym>Bis(tetraoxidophosphato)dioxidophosphate(5-)</synonym>
    <synonym>Catena-triate</synonym>
    <synonym>Catena-triic acid</synonym>
    <synonym>Catena-Triphosphate</synonym>
    <synonym>Inorganic triate</synonym>
    <synonym>Inorganic triic acid</synonym>
    <synonym>Inorganic triphosphate</synonym>
    <synonym>P3O10(5-)</synonym>
    <synonym>Triate</synonym>
    <synonym>Triate(5-)</synonym>
    <synonym>Triic acid</synonym>
    <synonym>Triphoshoric acid</synonym>
    <synonym>Tripolyate</synonym>
    <synonym>Tripolyic acid</synonym>
    <synonym>Tripolyphosphate</synonym>
  </synonyms>
  <chemical_formula>O10P3</chemical_formula>
  <average_molecular_weight>252.9153</average_molecular_weight>
  <monisotopic_moleculate_weight>252.870430756</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>14127-68-5</cas_registry_number>
  <smiles>[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O</smiles>
  <inchi>InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5</inchi>
  <inchikey>UNXRWKVEANCORM-UHFFFAOYSA-I</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.</description>
    <direct_parent>Non-metal phosphates</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal phosphates</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Non-metal phosphate</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>a polyphosphate</external_descriptor>
      <external_descriptor>phosphorus oxoanion</external_descriptor>
      <external_descriptor>triphosphate ion</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>0.89</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>252.9153</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>252.870430756</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O10P3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>UNXRWKVEANCORM-UHFFFAOYSA-I</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>184.97</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>30.79</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>13.05</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>-5</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>182904</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>182905</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>182906</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>183252</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>183253</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>183254</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB03379</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>18036</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce3241c4a8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241c2f0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241c138&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241bf30&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241bd78&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241bbc0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241ba08&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241b850&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241b698&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241b4e0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241b328&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241b170&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3241afb8&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial</name>
      <uniprot_id>Q96EY8</uniprot_id>
      <uniprot_name/>
      <gene_name>MMAB</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
