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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:22:17 UTC
Update Date2017-12-20 20:28:29 UTC
HMDB IDHMDB0012282
Secondary Accession Numbers
  • HMDB12282
Metabolite Identification
Common NamePPPi
DescriptionPPPi is a salt or acid that contains three phosphate groups. Triphosphoric acid, also tripolyphosphoric acid, with formula H5P3O10, is a condensed form of phosphoric acid.In polyphosphoric acids, it is the next after pyrophosphoric acid, H4P2O7, also called diphosphoric acid.Compounds such as ATP (adenosine triphosphate) are esters of triphosphoric acid. Polyphosphates are hydrolyzed into smaller units (orthophosphates) in the gut before absorption, which may induce a metabolic acidosis. The acute toxicity of polyphosphonates is low as the lowest LD50 after oral administration is > 1,000 mg/kg body weight.Polyphosphates are moderately irritating to skin and mucous membrane because of their alkalinity. No mutagenic potential was observed when TTP was tested in a Salmonella/microsome assay (Ames test) and in a chromosomal aberration assay in vitro using a Chinese hamster fibroblast cell line (Ishidate et al. 1984). Tetrasodium pyrophosphate was not mutagenic in an in vitro assay using S. cerevisiae strains and S. typhimurium strains with and without the addition of mammalian metabolic activation preparations (IPCS 1982). Reproduction studies in three generations of rats on diets with 0.5% TTP were performed. TTP had no effects on fertility or litter size, or on growth or survival on offspring (Hodge 1964). Tetrasodi.
Structure
Thumb
Synonyms
ValueSource
Acide triphosphoriqueChEBI
Catena-triphosphoric acidChEBI
H5P3O10ChEBI
Inorganic triphosphateChEBI
TRIphosphATEChEBI
TriphosphorsaeureChEBI
Tripolyphosphoric acidChEBI
Catena-triphosphateGenerator
Inorganic triphosphoric acidGenerator
TRIphosphoric acidGenerator
TripolyphosphateGenerator
(Phosphate)NHMDB
(Phosphate)n+1HMDB
(Phosphate)N-1HMDB
Bis(dihydroxidodioxidophosphato)hydroxidooxidophosphorusHMDB
Bis(phosphonooxy)phosphinic acidHMDB
DADHMDB
DCTHMDB
DGTHMDB
diphosphono Hydrogen phosphateHMDB
DTPHMDB
GTPHMDB
Inorganic open chain tripolyphosphateHMDB
TriphospateHMDB
Triphosphate analogsHMDB
TTPHMDB
Sodium triphosphateMeSH
Tetrasodium tripolyphosphateMeSH
Triphosphoric acid, 99TC-labeled CPDMeSH
Triphosphoric acid, pentasodium saltMeSH
Triphosphoric acid, sodium saltMeSH
Potassium triphosphateMeSH
Sodium tripolyphosphate anhydrousMeSH
Triphosphoric acid, pentapotassium saltMeSH
Triphosphoric acid, sodium, potassium saltMeSH
Pentapotassium triphosphateMeSH
Sodium tripolyphosphateMeSH
Chemical FormulaH5O10P3
Average Molecular Weight257.955
Monoisotopic Molecular Weight257.909555916
IUPAC Name{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
Traditional Nametripolyphosphate
CAS Registry Number10380-08-2
SMILES
OP(O)(=O)OP(O)(=O)OP(O)(O)=O
InChI Identifier
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)
InChI KeyUNXRWKVEANCORM-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound 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
Ontology
Disposition

Source:

Process

Naturally occurring process:

Role

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9520000000-e90a8c73374acf7bc122View in MoNA
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
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03896
Phenol Explorer Compound IDNot Available
FoodDB IDFDB028913
KNApSAcK IDNot Available
Chemspider ID958
KEGG Compound IDC02174
BioCyc IDP3I
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound983
PDB ID3PO
ChEBI ID39949
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in 6-pyruvoyltetrahydropterin synthase activity
Specific function:
Involved in the biosynthesis of tetrahydrobiopterin, an essential cofactor of aromatic amino acid hydroxylases. Catalyzes the transformation of 7,8-dihydroneopterin triphosphate into 6-pyruvoyl tetrahydropterin.
Gene Name:
PTS
Uniprot ID:
Q03393
Molecular weight:
16385.63
Reactions
Dihydroneopterin triphosphate → Dyspropterin + PPPidetails
Dihydroneopterin triphosphate + Water → 6-Carboxy-5,6,7,8-tetrahydropterin + Acetaldehyde + PPPidetails
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
MMAB
Uniprot ID:
Q96EY8
Molecular weight:
27387.975
Reactions
Cob(I)yrinate a,c diamide + Adenosine triphosphate → Adenosyl cobyrinic acid a,c diamide + PPPidetails
Adenosine triphosphate + Cobinamide → PPPi + Adenosyl cobinamidedetails