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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-12 19:53:36 UTC
Update Date2020-04-23 20:55:13 UTC
HMDB IDHMDB0003379
Secondary Accession Numbers
  • HMDB0012282
  • HMDB03379
  • HMDB12282
Metabolite Identification
Common NameTriphosphate
DescriptionTriphosphate is a salt or ester containing three phosphate groups. It is the ionic form of triphosphoric acid, a condensed form of phosphoric acid. Triphosphate is an intermediate in the biosynthesis of folate, the metabolism of purine, the metabolism of porphyrin and chlorophyll, the metabolism of pyrimidine, and the metabolism of thiamine. It is a substrate for transforming protein p21/H-Ras-1, bis(5'-adenosyl)-triphosphatase, ectonucleoside triphosphate diphosphohydrolase, DNA polymerase gamma subunit 1, DNA nucleotidylexotransferase, inosine triphosphate pyrophosphatase, cob(I)yrinic acid a,c-diamide adenosyltransferase (mitochondrial), thiamine-triphosphatase, DNA-directed RNA polymerase III 32 kDa polypeptide, and 6-pyruvoyl tetrahydrobiopterin synthase. 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 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).
Structure
Data?1582752274
Synonyms
ValueSource
Acide triphosphoriqueChEBI
Catena-triphosphoric acidChEBI
H5P3O10ChEBI
Inorganic triphosphateChEBI
TriphosphorsaeureChEBI
Tripolyphosphoric acidChEBI
Catena-triphosphateGenerator
Inorganic triphosphoric acidGenerator
TripolyphosphateGenerator
Triphosphoric acidGenerator
(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 triphosphateHMDB
Tetrasodium tripolyphosphateHMDB
Triphosphoric acid, 99TC-labeled CPDHMDB
Triphosphoric acid, pentasodium saltHMDB
Triphosphoric acid, sodium saltHMDB
Potassium triphosphateHMDB
Sodium tripolyphosphate anhydrousHMDB
Triphosphoric acid, pentapotassium saltHMDB
Triphosphoric acid, sodium, potassium saltHMDB
Pentapotassium triphosphateHMDB
Sodium tripolyphosphateHMDB
PPPiHMDB
TRIphosphATEChEBI
Chemical FormulaH5O10P3
Average Molecular Weight257.955
Monoisotopic Molecular Weight257.909555916
IUPAC Name{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid
Traditional Nametripolyphosphate
CAS Registry Number14127-68-5
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
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
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+154.67731661259
DarkChem[M-H]-145.38331661259
DeepCCS[M+H]+111.98930932474
DeepCCS[M-H]-108.35130932474
DeepCCS[M-2H]-146.33530932474
DeepCCS[M+Na]+121.51330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TriphosphateOP(O)(=O)OP(O)(=O)OP(O)(O)=O3642.3Standard polar33892256
TriphosphateOP(O)(=O)OP(O)(=O)OP(O)(O)=O1847.2Standard non polar33892256
TriphosphateOP(O)(=O)OP(O)(=O)OP(O)(O)=O2183.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O2223.5Semi standard non polar33892256
Triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O2134.0Standard non polar33892256
Triphosphate,1TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O3231.0Standard polar33892256
Triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O2226.8Semi standard non polar33892256
Triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O2170.6Standard non polar33892256
Triphosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O3255.3Standard polar33892256
Triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O2221.1Semi standard non polar33892256
Triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O2181.7Standard non polar33892256
Triphosphate,2TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O2925.5Standard polar33892256
Triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2210.1Semi standard non polar33892256
Triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2199.1Standard non polar33892256
Triphosphate,2TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2887.7Standard polar33892256
Triphosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C2229.2Semi standard non polar33892256
Triphosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C2166.3Standard non polar33892256
Triphosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C2937.8Standard polar33892256
Triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2203.1Semi standard non polar33892256
Triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2223.7Standard non polar33892256
Triphosphate,3TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O2679.9Standard polar33892256
Triphosphate,3TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2194.8Semi standard non polar33892256
Triphosphate,3TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2198.9Standard non polar33892256
Triphosphate,3TMS,isomer #2C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2754.9Standard polar33892256
Triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C2180.7Semi standard non polar33892256
Triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C2214.8Standard non polar33892256
Triphosphate,3TMS,isomer #3C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C2738.5Standard polar33892256
Triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2209.7Semi standard non polar33892256
Triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2244.7Standard non polar33892256
Triphosphate,4TMS,isomer #1C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2555.9Standard polar33892256
Triphosphate,4TMS,isomer #2C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2230.1Semi standard non polar33892256
Triphosphate,4TMS,isomer #2C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2235.8Standard non polar33892256
Triphosphate,4TMS,isomer #2C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2569.3Standard polar33892256
Triphosphate,5TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2253.2Semi standard non polar33892256
Triphosphate,5TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2280.3Standard non polar33892256
Triphosphate,5TMS,isomer #1C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2342.1Standard polar33892256
Triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O2490.5Semi standard non polar33892256
Triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O2340.5Standard non polar33892256
Triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O3374.8Standard polar33892256
Triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O2473.0Semi standard non polar33892256
Triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O2371.1Standard non polar33892256
Triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)O3366.0Standard polar33892256
Triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O2645.0Semi standard non polar33892256
Triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O2513.8Standard non polar33892256
Triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O3196.8Standard polar33892256
Triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O2641.1Semi standard non polar33892256
Triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O2569.6Standard non polar33892256
Triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3142.5Standard polar33892256
Triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C2673.8Semi standard non polar33892256
Triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C2549.5Standard non polar33892256
Triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3216.0Standard polar33892256
Triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O2788.6Semi standard non polar33892256
Triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O2694.2Standard non polar33892256
Triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O2995.8Standard polar33892256
Triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2791.9Semi standard non polar33892256
Triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2679.6Standard non polar33892256
Triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3079.7Standard polar33892256
Triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C2793.0Semi standard non polar33892256
Triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C2732.0Standard non polar33892256
Triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C3005.5Standard polar33892256
Triphosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2960.1Semi standard non polar33892256
Triphosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2796.3Standard non polar33892256
Triphosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2888.1Standard polar33892256
Triphosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2975.6Semi standard non polar33892256
Triphosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2757.0Standard non polar33892256
Triphosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2933.0Standard polar33892256
Triphosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3146.9Semi standard non polar33892256
Triphosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2889.0Standard non polar33892256
Triphosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2782.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9520000000-e90a8c73374acf7bc1222016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 10V, Negative-QTOFsplash10-0a4i-0090000000-7ab59c02dffe21b7a6042015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 20V, Negative-QTOFsplash10-056r-9270000000-61dc72f8bf5e400f38822015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 40V, Negative-QTOFsplash10-004i-9000000000-6a7c993cb33cf4d5fedd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 10V, Negative-QTOFsplash10-0a4i-0390000000-05444cfee24772b7b3b22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 20V, Negative-QTOFsplash10-0a4i-0900000000-2eca580fe4fd0b82d8a62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 40V, Negative-QTOFsplash10-0a4i-0900000000-2e0c12969f0c2680414e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 10V, Positive-QTOFsplash10-0a6r-2690000000-673654046903650b71522015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 20V, Positive-QTOFsplash10-03fs-5930000000-5eb4974ca8fed75580242015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 40V, Positive-QTOFsplash10-01qa-9500000000-b2404c5ea6e7138393842015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 10V, Positive-QTOFsplash10-0a4i-0090000000-db0b792e00f5267b04292021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 20V, Positive-QTOFsplash10-0a6r-4690000000-1c8ad94ae184a8e58b612021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triphosphate 40V, Positive-QTOFsplash10-0002-9000000000-9afb7f62828d4245d3832021-09-22Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Cerebrospinal Fluid (CSF)
Tissue Locations
  • Fibroblasts
  • Kidney
  • Neuron
  • Pancreas
  • Placenta
  • Platelet
  • Skeletal Muscle
  • Spleen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cerebrospinal Fluid (CSF)Detected and Quantified7.88 +/- 0.44 uMAdult (>18 years old)FemaleNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03896
Phenol Explorer Compound IDNot Available
FooDB IDFDB028913
KNApSAcK IDNot Available
Chemspider ID958
KEGG Compound IDC02174
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPolyphosphate
METLIN IDNot Available
PubChem Compound983
PDB IDNot Available
ChEBI ID39949
Food Biomarker OntologyNot Available
VMH IDPPPI
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceTsuhako, Mitsutomo; Sueyoshi, Chiyoko; Miyajima, Tohru; Ohashi, Shigeru; Nariai, Hiroyuki; Motooka, Itaru. The reaction of cyclo-triphosphate with ethanolamines. Bulletin of the Chemical Society of Japan (1986), 59(10), 3091-5.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Gerasimovskaya EV, Ahmad S, White CW, Jones PL, Carpenter TC, Stenmark KR: Extracellular ATP is an autocrine/paracrine regulator of hypoxia-induced adventitial fibroblast growth. Signaling through extracellular signal-regulated kinase-1/2 and the Egr-1 transcription factor. J Biol Chem. 2002 Nov 22;277(47):44638-50. Epub 2002 Sep 18. [PubMed:12244041 ]
  2. Cseri J, Szappanos H, Szigeti GP, Csernatony Z, Kovacs L, Csernoch L: A purinergic signal transduction pathway in mammalian skeletal muscle cells in culture. Pflugers Arch. 2002 Mar;443(5-6):731-8. Epub 2001 Dec 4. [PubMed:11889570 ]
  3. Pelleg A, Schulman ES: Adenosine 5'-triphosphate axis in obstructive airway diseases. Am J Ther. 2002 Sep-Oct;9(5):454-64. [PubMed:12237739 ]
  4. Ding Z, Kim S, Dorsam RT, Jin J, Kunapuli SP: Inactivation of the human P2Y12 receptor by thiol reagents requires interaction with both extracellular cysteine residues, Cys17 and Cys270. Blood. 2003 May 15;101(10):3908-14. Epub 2003 Jan 30. [PubMed:12560222 ]
  5. Feng YH, Wang L, Wang Q, Li X, Zeng R, Gorodeski GI: ATP stimulates GRK-3 phosphorylation and beta-arrestin-2-dependent internalization of P2X7 receptor. Am J Physiol Cell Physiol. 2005 Jun;288(6):C1342-56. Epub 2005 Feb 23. [PubMed:15728711 ]
  6. Smits P, Bijlstra PJ, Russel FG, Lutterman JA, Thien T: Cardiovascular effects of sulphonylurea derivatives. Diabetes Res Clin Pract. 1996 Jul;31 Suppl:S55-9. [PubMed:8864641 ]
  7. Sawynok J, Liu XJ: Adenosine in the spinal cord and periphery: release and regulation of pain. Prog Neurobiol. 2003 Apr;69(5):313-40. [PubMed:12787573 ]
  8. Burnstock G: Noradrenaline and ATP: cotransmitters and neuromodulators. J Physiol Pharmacol. 1995 Dec;46(4):365-84. [PubMed:8770783 ]
  9. Podust VN, Korobeinicheva TO, Nevinskii GA, Rikhter VA, Abramova TI, Lavrik OI: [Template-primer-dependent inactivation of DNA polymerase alpha from human placenta by 2',3'-epoxyadenosine-5'-triphosphate]. Bioorg Khim. 1990 Feb;16(2):226-35. [PubMed:2344386 ]
  10. Valdecantos P, Briones R, Moya P, Germain A, Huidobro-Toro JP: Pharmacological identification of P2X1, P2X4 and P2X7 nucleotide receptors in the smooth muscles of human umbilical cord and chorionic blood vessels. Placenta. 2003 Jan;24(1):17-26. [PubMed:12495655 ]
  11. Bijlstra PJ, Russel FG, Thien T, Lutterman JA, Smits P: Effects of tolbutamide on vascular ATP-sensitive potassium channels in humans. Comparison with literature data on glibenclamide and glimepiride. Horm Metab Res. 1996 Sep;28(9):512-6. [PubMed:8911989 ]
  12. Lavoie EG, Kukulski F, Levesque SA, Lecka J, Sevigny J: Cloning and characterization of mouse nucleoside triphosphate diphosphohydrolase-3. Biochem Pharmacol. 2004 May 15;67(10):1917-26. [PubMed:15130768 ]
  13. Banks FC, Knight GE, Calvert RC, Turmaine M, Thompson CS, Mikhailidis DP, Morgan RJ, Burnstock G: Smooth muscle and purinergic contraction of the human, rabbit, rat, and mouse testicular capsule. Biol Reprod. 2006 Mar;74(3):473-80. Epub 2005 Nov 9. [PubMed:16280417 ]

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.
Gene Name:
ITPA
Uniprot ID:
Q9BY32
Molecular weight:
16833.23
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 + Triphosphatedetails
Dihydroneopterin triphosphate → Dyspropterin + Triphosphatedetails
Dihydroneopterin triphosphate + Water → 6-Carboxy-5,6,7,8-tetrahydropterin + Acetaldehyde + Triphosphatedetails
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
MMAB
Uniprot ID:
Q96EY8
Molecular weight:
27387.975
Reactions
Adenosine triphosphate + Cob(I)yrinate a,c diamide → Triphosphate + adenosylcob(III)yrinic acid a,c-diamidedetails
Adenosine triphosphate + Cobinamide → Triphosphate + Adenosyl cobinamidedetails
Cob(I)yrinate a,c diamide + Adenosine triphosphate → Adenosyl cobyrinic acid a,c diamide + Triphosphatedetails
Adenosine triphosphate + Cobinamide → Triphosphate + Adenosyl cobinamidedetails