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Record Information
Version3.6
Creation Date2005-11-16 15:48:42 UTC
Update Date2013-02-09 00:09:41 UTC
HMDB IDHMDB00973
Secondary Accession NumbersNone
Metabolite Identification
Common NameHydrogen phosphate
DescriptionThe phosphate ion is a polyatomic ion with the empirical formula PO4H and a molecular mass of 94.97 daltons; it consists of one central phosphorus atom surrounded by four identical oxygen atoms in a tetrahedral arrangement. It is a hypervalent molecule (the phosphorus atom has 10 electrons in its valence shell). A phosphate, in inorganic chemistry, is a salt of phosphoric acid. Phosphates are also important in biochemistry and biogeochemistry. In agriculture phosphate refers to one of the three primary plant nutrients, and it is a component of fertilizers. In ecological terms, because of its important role in biological systems, phosphate is a highly sought after resource. Consequently, it is often a limiting reagent in environments, and its availability may govern the rate of growth of organisms. Addition of high levels of phosphate to environments and to micro-environments in which it is typically rare can have significant ecological consequences. In the context of pollution, phosphates are a principal component of total dissolved solids, a major indicator of water quality.
Structure
Thumb
Synonyms
  1. Biphosphate
  2. Hydrogen orthophosphate
  3. Hydrogen phosphate
  4. Hydrogen phosphate anion
  5. Hydrogen phosphate dianion
  6. Hydrogen phosphate ion
  7. Monohydrogen phosphate
  8. Phosphate dianion
  9. Phosphate ion
  10. Phosphoric acid ion
Chemical FormulaHO4P
Average Molecular Weight95.9793
Monoisotopic Molecular Weight95.961245032
IUPAC Namehydrogen phosphate
Traditional IUPAC Namephosphate
CAS Registry Number14066-19-4
SMILES
OP([O-])([O-])=O
InChI Identifier
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
InChI KeyNBIIXXVUZAFLBC-UHFFFAOYSA-L
Chemical Taxonomy
KingdomInorganic Compounds
Super ClassHomogeneous Non-metal Compounds
ClassNon-metal Oxoanionic Compounds
Sub ClassNon-metal Phosphates
Other Descriptors
  • an inorganic phosphate(Cyc)
  • phosphate ion(ChEBI)
Substituents
  • N/A
Direct ParentNon-metal Phosphates
Ontology
StatusExpected and Not Quantified
Origin
  • Endogenous
Biofunction
  • Osmolyte, enzyme cofactor, signalling
Application
  • Buffer
Cellular locationsNot Available
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-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area83.42ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.41ChemAxon
Polarizability5.24ChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB022346
KNApSAcK IDNot Available
Chemspider ID2913859
KEGG Compound IDC01293
BioCyc IDALPHA-GLUCOSE-16-BISPHOSPHATE
BiGG IDNot Available
Wikipedia LinkHydrogen phosphate
NuGOwiki LinkHMDB00973
Metagene LinkHMDB00973
METLIN IDNot Available
PubChem Compound57424078
PDB IDPI
ChEBI ID43474
References
Synthesis ReferenceRosso, Janina A.; Rodriguez Nieto, Felipe J.; Gonzalez, Monica C.; Martire, Daniel O. Reactions of phosphate radicals with substituted benzenes. Journal of Photochemistry and Photobiology, A: Chemistry (1998), 116(1), 21-25.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Enzymes

General function:
Involved in ATP binding
Specific function:
Inhibits the mitochondrial pyruvate dehydrogenase complex by phosphorylation of the E1 alpha subunit, thus contributing to the regulation of glucose metabolism
Gene Name:
PDK1
Uniprot ID:
Q15118
Molecular weight:
49243.8
General function:
Involved in ATP binding
Specific function:
Inhibits the mitochondrial pyruvate dehydrogenase complex by phosphorylation of the E1 alpha subunit, thus contributing to the regulation of glucose metabolism
Gene Name:
PDK3
Uniprot ID:
Q15120
Molecular weight:
46938.5
General function:
Involved in catalytic activity
Specific function:
Catalyzes the dephosphorylation and concomitant reactivation of the alpha subunit of the E1 component of the pyruvate dehydrogenase complex (By similarity).
Gene Name:
PDP2
Uniprot ID:
Q9P2J9
Molecular weight:
59977.46
General function:
Involved in catalytic activity
Specific function:
Catalyzes the dephosphorylation and concomitant reactivation of the alpha subunit of the E1 component of the pyruvate dehydrogenase complex (By similarity).
Gene Name:
PDP1
Uniprot ID:
Q9P0J1
Molecular weight:
63694.735
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
PDK4
Uniprot ID:
A4D1H4
Molecular weight:
46468.8