Human Metabolome Database Version 3.5

Showing metabocard for Hydrogen phosphate (HMDB00973)

Record Information
Version 3.5
Creation Date 2005-11-16 08:48:42 -0700
Update Date 2013-02-08 17:09:41 -0700
HMDB ID HMDB00973
Secondary Accession Numbers None
Metabolite Identification
Common Name Hydrogen phosphate
Description The 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
Download: MOL | SDF | PDB | SMILES | InChI
Display: 2D Structure | 3D Structure
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 Formula HO4P
Average Molecular Weight 95.9793
Monoisotopic Molecular Weight 95.961245032
IUPAC Name hydrogen phosphate
Traditional IUPAC Name phosphate
CAS Registry Number 14066-19-4
SMILES OP([O-])([O-])=O
InChI Identifier InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
InChI Key NBIIXXVUZAFLBC-UHFFFAOYSA-L
Chemical Taxonomy
Kingdom Inorganic Compounds
Super Class Homogeneous Non-metal Compounds
Class Non-metal Oxoanionic Compounds
Sub Class Non-metal Phosphates
Other Descriptors
  • an inorganic phosphate(Cyc)
  • phosphate ion(ChEBI)
Substituents
  • N/A
Direct Parent Non-metal Phosphates
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction
  • Osmolyte, enzyme cofactor, signalling
Application
  • Buffer
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility ALOGPS
LogP -1 ChemAxon
pKa (strongest acidic) 1.8 ChemAxon
Hydrogen Acceptor Count 4 ChemAxon
Hydrogen Donor Count 1 ChemAxon
Polar Surface Area 83.42 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 12.41 ChemAxon
Polarizability 5.24 ChemAxon
Formal Charge -2 ChemAxon
Physiological Charge -2 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB022346
KNApSAcK ID Not Available
Chemspider ID 2913859 Link_out
KEGG Compound ID C01293 Link_out
BioCyc ID ALPHA-GLUCOSE-16-BISPHOSPHATE Link_out
BiGG ID Not Available
Wikipedia Link Hydrogen phosphate Link_out
NuGOwiki Link HMDB00973 Link_out
Metagene Link HMDB00973 Link_out
METLIN ID Not Available
PubChem Compound 57424078 Link_out
PDB ID PI Link_out
ChEBI ID 43474 Link_out
References
Synthesis Reference Rosso, 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 References Not Available

Enzymes
Name: [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1, mitochondrial
Reactions: Not Available
Gene Name: PDK1
Uniprot ID: Q15118 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3, mitochondrial
Reactions: Not Available
Gene Name: PDK3
Uniprot ID: Q15120 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: [Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 2, mitochondrial
Reactions: Not Available
Gene Name: PDP2
Uniprot ID: Q9P2J9 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: [Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial
Reactions: Not Available
Gene Name: PDP1
Uniprot ID: Q9P0J1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Pyruvate dehydrogenase kinase, isoenzyme 4
Reactions: Not Available
Gene Name: PDK4
Uniprot ID: A4D1H4 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA