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Polyphosphate (M2MDB004631)

Record Information
Version2.0
Creation Date2015-06-04 16:52:06 -0600
Update Date2015-08-05 16:22:04 -0600
Secondary Accession Numbers
  • ECMDB23829
Identification
Name:Polyphosphate
DescriptionThe phosphorus oxoanion formed from polyphosphoric acid by proton loss from each of the phosphate units. The major species at pH 7.3.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • (Phosphate)N
  • (Phosphate)n+1
  • (Phosphate)N-1
  • (Phosphoric acid)N
  • (Phosphoric acid)n+1
  • (Phosphoric acid)N-1
  • Acide triphosphorique
  • Bis(dihydroxidodioxidophosphato)hydroxidooxidophosphorus
  • Bis(phosphonooxy)phosphinate
  • Bis(phosphonooxy)phosphinic acid
  • Catena-triphosphate
  • Catena-triphosphoric acid
  • DAD
  • DCT
  • DGT
  • diphosphono Hydrogen phosphate
  • diphosphono Hydrogen phosphoric acid
  • DTP
  • GTP
  • H5P3O10
  • Inorganic open chain tripolyphosphate
  • Inorganic open chain tripolyphosphoric acid
  • Inorganic triphosphate
  • Inorganic triphosphoric acid
  • Polyphosphoric acid
  • Triphospate
  • TRIphosphATE
  • Triphosphate analogs
  • TRIphosphoric acid
  • Triphosphoric acid analogs
  • Triphosphorsaeure
  • Triphospic acid
  • Tripolyphosphate
  • Tripolyphosphoric acid
  • TTP
Chemical Formula:H5O10P3
Weight:Average: 257.955
Monoisotopic: 257.909555916
InChI Key:UNXRWKVEANCORM-UHFFFAOYSA-N
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)
CAS number:Not Available
IUPAC Name:{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
Traditional IUPAC Name:tripolyphosphate
SMILES:OP(O)(=O)OP(O)(=O)OP(O)(O)=O
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
State:Not Available
Charge:-4
Melting point:Not Available
Experimental Properties:
PropertyValueSource
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 Locations:Cytoplasm
Reactions:
Adenosine triphosphate + Polyphosphate <> ADP
Polyphosphate + Water <> Phosphate
Cobalamin + Adenosine triphosphate + vitamin B12 > coenzyme B12 + Triphosphate + Polyphosphate
Adenosine triphosphate + Polyphosphate <> ADP
SMPDB Pathways:
Oxidative phosphorylationPW000919 ThumbThumb?image type=greyscaleThumb?image type=simple
adenosylcobalamin salvage from cobinamidePW001884 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9520000000-e90a8c73374acf7bc122View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a6r-2690000000-673654046903650b7152View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03fs-5930000000-5eb4974ca8fed7558024View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01qa-9500000000-b2404c5ea6e713839384View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-7ab59c02dffe21b7a604View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-9270000000-61dc72f8bf5e400f3882View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6a7c993cb33cf4d5feddView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0090000000-db0b792e00f5267b0429View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a6r-4690000000-1c8ad94ae184a8e58b61View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-9afb7f62828d4245d383View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0390000000-05444cfee24772b7b3b2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-2eca580fe4fd0b82d8a6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-2e0c12969f0c2680414eView in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID39949
HMDB IDHMDB0003379
Pubchem Compound ID983
Kegg IDC00404
ChemSpider ID958
Wikipedia IDPolyphosphate
BioCyc IDNot Available

Enzymes

Protein Details
1. Cob(I)yrinic acid a,c-diamide adenosyltransferase
General function:
Involved in ATP binding
Specific function:
Required for both de novo synthesis of the corrin ring for the assimilation of exogenous corrinoids. Participates in the adenosylation of a variety of incomplete and complete corrinoids
Gene Name:
btuR
Uniprot ID:
P0A9H5
Molecular weight:
21999
Reactions
ATP + cob(I)yrinic acid a,c-diamide = triphosphate + adenosylcob(III)yrinic acid a,c-diamide.
ATP + cobinamide = triphosphate + adenosylcobinamide.