Identification
YMDB IDYMDB00844
NamePPPi
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionTriphosphate, also known as H5P3O10 or triphosphorsaeure, 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. Triphosphate is an extremely strong acidic compound (based on its pKa). Triphosphate exists in all living species, ranging from bacteria to humans.
Structure
Thumb
Synonyms
  • (phosphate)n
  • (Phosphate)n-1
  • (Phosphate)n+1
  • acide triphosphorique
  • Bis(dihydroxidodioxidophosphato)hydroxidooxidophosphorus
  • Bis(phosphonooxy)phosphinic acid
  • Catena-triphosphoric acid
  • DAD
  • DCT
  • DGT
  • Diphosphono hydrogen phosphate
  • DTP
  • GTP
  • Inorganic open chain tripolyphosphate
  • Inorganic triphosphate
  • Triphosphate
  • Triphosphate analogs
  • Triphosphoric acid
  • Triphosphorsaeure
  • Tripolyphosphate
  • TTP
  • H5P3O10
  • Tripolyphosphoric acid
  • Catena-triphosphate
  • Inorganic triphosphoric acid
  • Triphospate
  • Sodium triphosphate
  • Tetrasodium tripolyphosphate
  • Triphosphoric acid, 99TC-labeled CPD
  • Triphosphoric acid, pentasodium salt
  • Triphosphoric acid, sodium salt
  • Potassium triphosphate
  • Sodium tripolyphosphate anhydrous
  • Triphosphoric acid, pentapotassium salt
  • Triphosphoric acid, sodium, potassium salt
  • Pentapotassium triphosphate
  • Sodium tripolyphosphate
  • PPPi
CAS number10380-08-2
WeightAverage: 257.955
Monoisotopic: 257.909555916
InChI KeyUNXRWKVEANCORM-UHFFFAOYSA-N
InChIInChI=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)
IUPAC Name{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
Traditional IUPAC Nametripolyphosphate
Chemical FormulaH5O10P3
SMILES[H]OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[H]
Chemical 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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal phosphates
Direct ParentNon-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
logP-1.9ChemAxon
pKa (Strongest Acidic)0.89ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area170.82 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity36.4 m³·mol⁻¹ChemAxon
Polarizability14.67 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Oxidative phosphorylationPW002461 ThumbThumb?image type=greyscaleThumb?image type=simple
purine nucleotides de novo biosynthesisPW002478 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Oxidative phosphorylationec00190 Map00190
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9520000000-e90a8c73374acf7bc122JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a6r-2690000000-673654046903650b7152JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03fs-5930000000-5eb4974ca8fed7558024JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01qa-9500000000-b2404c5ea6e713839384JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-7ab59c02dffe21b7a604JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-9270000000-61dc72f8bf5e400f3882JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6a7c993cb33cf4d5feddJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0090000000-db0b792e00f5267b0429JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a6r-4690000000-1c8ad94ae184a8e58b61JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-9afb7f62828d4245d383JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0390000000-05444cfee24772b7b3b2JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-2eca580fe4fd0b82d8a6JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-2e0c12969f0c2680414eJSpectraViewer
References
References:
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID39949
HMDB IDHMDB12282
Pubchem Compound ID983
Kegg IDC00536
ChemSpider ID958
FOODB IDFDB028913
Wikipedia IDPolyphosphate
BioCyc IDP3I