P. aeruginosa Metabolome Database: Triphosphate (PAMDB000496)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB000496

Identification

Name:

Triphosphate

Description:

A triphosphate 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, the metabolism of Pyrimidine and the metabolism of Thiamine. The cleavage of the high energy triphosphate bonds in ATP (to ADP or AMP) is the central route of generating energy in cells.

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Bis(tetraoxidophosphato)dioxidophosphate(5-)
Bis(tetraoxidophosphato)dioxidophosphoric acid(5-)
Catena-triphosphate
Catena-triphosphoric acid
Inorganic open chain tripolyphosphate
Inorganic open chain tripolyphosphoric acid
Inorganic triphosphate
Inorganic triphosphoric acid
P3,i
Triphoshate
Triphoshic acid
Triphoshorate
Triphoshoric acid
Triphosphate
Triphosphate(5-)
Triphosphoric acid
Triphosphoric acid(5-)
Tripolyphosphate
Tripolyphosphoric acid

Chemical Formula:

O₁₀P₃

Average Molecular Weight:

252.9153

Monoisotopic Molecular Weight:

252.870430756

InChI Key:

UNXRWKVEANCORM-UHFFFAOYSA-I

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

CAS number:

14127-68-5

IUPAC Name:

{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphonic acid

Traditional IUPAC Name:

tripolyphosphate

SMILES:

[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compoundscontaining a pyrophosphate as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal pyrophosphates

Direct Parent

Non-metal pyrophosphates

Alternative Parents

Inorganic oxides

Substituents

Non-metal pyrophosphate
Inorganic oxide
Acyclic compound

Molecular Framework

Acyclic compounds

External Descriptors

phosphorus oxoacid (CHEBI:39949 )
acyclic phosphorus acid anhydride (CHEBI:39949 )

Physical Properties

State:

Solid

Charge:

-3

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
logP	-1.9	ChemAxon
pKa (Strongest Acidic)	0.89	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	170.82 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	36.4 m³·mol^-1	ChemAxon
Polarizability	14.67 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Guanosine triphosphate + Water > Guanosine + Triphosphate
dGTP + Water <> Deoxyguanosine + Triphosphate
Adenosine triphosphate + Cob(I)alamin + Hydrogen ion <> Adenosylcobalamin + Triphosphate
Adenosine triphosphate + Cobinamide + Hydrogen ion <> Adenosyl cobinamide + Triphosphate
Adenosine triphosphate + Pyrophosphate <> ADP + Triphosphate
Dihydroneopterin triphosphate + Water > Acetaldehyde + 6-Carboxy-5,6,7,8-tetrahydropterin + Hydrogen ion + Triphosphate
Adenosine triphosphate + Cob(I)alamin <> Triphosphate + Adenosylcobalamin
Dihydroneopterin triphosphate <> Dyspropterin + Triphosphate
Cob(I)yrinate a,c diamide + Adenosine triphosphate <> Adenosyl cobyrinate a,c diamide + Triphosphate
Adenosine triphosphate + Cobinamide <> Triphosphate + Adenosyl cobinamide
Cob(I)yrinate a,c diamide + Adenosine triphosphate > Adenosyl cobinamide + Triphosphate
Water + dGTP > Hydrogen ion + Triphosphate + Deoxyguanosine
Adenosine triphosphate + Cob(I)yrinate a,c diamide > Triphosphate + Adenosylcob(III)yrinic acid a,c-diamide
Dihydroneopterin triphosphate + Water > 6-Carboxy-5,6,7,8-tetrahydropterin + Acetaldehyde + Triphosphate
Adenosine triphosphate + Cob(I)yrinate a,c diamide + Cobinamide <> Triphosphate + Adenosyl cobyrinate a,c diamide + Adenosyl cobinamide
Triphosphate + Water <> Pyrophosphate + Phosphate
Cobinamide + Adenosine triphosphate + Cobinamide > Adenosyl cobinamide + Triphosphate + Adenosyl cobinamide + Triphosphate

Cobalamin + Adenosine triphosphate + vitamin B12 > coenzyme B12 + Triphosphate + Polyphosphate
Adenosine triphosphate + Cobalamin + vitamin B12 > Triphosphate + Adenosylcobalamin + Triphosphate
7,8-dihydroneopterin 3'-triphosphate + Water > Acetaldehyde + Triphosphate +2 Hydrogen ion + 6-Carboxy-5,6,7,8-tetrahydropterin + Triphosphate

More...

Pathways:

Folate biosynthesis pae00790
Metabolic pathways pae01100
Oxidative phosphorylation pae00190
Porphyrin and chlorophyll metabolism pae00860
Purine metabolism pae00230

Spectra

Spectra:

Spectrum Type	Description	Splash Key
GC-MS	GC-MS Spectrum - GC-MS	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a6r-2690000000-673654046903650b7152	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03fs-5930000000-5eb4974ca8fed7558024	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01qa-9500000000-b2404c5ea6e713839384	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0090000000-7ab59c02dffe21b7a604	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-9270000000-61dc72f8bf5e400f3882	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-6a7c993cb33cf4d5fedd	View in MoNA

References

References:

Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882

Synthesis Reference:

Tsuhako, 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)

Links

External Links:

Resource	Link
CHEBI ID	18036
HMDB ID	HMDB03379
Pubchem Compound ID	3440921
Kegg ID	C00536
ChemSpider ID	2683694
Wikipedia	Triphosphoric_acid
BioCyc ID	P3I
EcoCyc ID	P3I
Ligand Expo	3PO

Triphosphate (PAMDB000496)

Structure for Triphosphate (PAMDB000496)