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Human Metabolome Database Version 3.5

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Showing metabocard for Dihydrogen phosphate (HMDB02105)

Record Information
Version 3.5
Creation Date 2006-05-22 08:17:36 -0600
Update Date 2013-05-29 13:33:59 -0600
HMDB ID HMDB02105
Secondary Accession Numbers None
Metabolite Identification
Common Name Dihydrogen phosphate
Description Dihydrogen phosphate is an inorganic salt used in numerous analytical methods, and in buffer solutions. (PMID: 15369738 Link_out). It is one of several forms of the phosphate ion that can exist physiologically. It readily forms salts with sodium or potassium cations.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Dihydrogen(tetraoxidophosphate)(1-)
  2. Dihydrogenphosphate
  3. Dihydrogenphosphate ion
  4. Dihydrogentetraoxophosphate(1-)
  5. Dihydrogentetraoxophosphate(v)
  6. Dihydroxidodioxidophosphate(1-)
  7. Phosphate dihydrogen
  8. Phosphate hydrogen
Chemical Formula H2O4P
Average Molecular Weight 96.9872
Monoisotopic Molecular Weight 96.969070064
IUPAC Name dihydrogen phosphate
Traditional IUPAC Name dihydrogenphosphate ion
CAS Registry Number 14066-20-7
SMILES OP(O)([O-])=O
InChI Identifier InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChI Key NBIIXXVUZAFLBC-UHFFFAOYSA-M
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 salt(Cyc)
  • phosphate ion(ChEBI)
Substituents
  • N/A
Direct Parent Non-metal Phosphates
Ontology
Status Expected and Not Quantified
Origin Not Available
Biofunction
  • Osmolyte, enzyme cofactor, signalling
Application Not Available
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 2 ChemAxon
Polar Surface Area 80.59 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 13.53 ChemAxon
Polarizability 5.53 ChemAxon
Formal Charge -1 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 FDB022848
KNApSAcK ID Not Available
Chemspider ID 978 Link_out
KEGG Compound ID Not Available
BioCyc ID ALPHA-GLUCOSE-16-BISPHOSPHATE Link_out
BiGG ID Not Available
Wikipedia Link Dihydrogen Phosphate Link_out
NuGOwiki Link HMDB02105 Link_out
Metagene Link HMDB02105 Link_out
METLIN ID Not Available
PubChem Compound 1003 Link_out
PDB ID 2HP Link_out
ChEBI ID 39745 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Download (PDF)
General References
  1. Esteve-Romero J, Capella-Peiro ME, Monferrer-Pons L, Gil-Agusti M: Micellar liquid chromatography in clinical chemistry: application to the monitorization of B6 vitamins. Clin Chim Acta. 2004 Oct;348(1-2):69-77. Pubmed: 15369738 Link_out