Phosphonate (PAMDB001286)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB001286
Identification
Name: Phosphonate
Description:Phosphonates are one of the three sources of phosphate intake in biological cells (The other two being inorganic phosphate and organophosphate)
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Dihydridodioxidophosphate(1-)
  • Dihydridodioxidophosphoric acid(1-)
  • Dihydridodioxophosphate(1-)
  • Dihydridodioxophosphoric acid(1-)
  • Diperfluoroalkyl (C6-C12) phosphinate
  • Diperfluoroalkyl (C6-C12) phosphinic acid
  • HOPO
  • Hydrogenphosphite
  • Hydroxidooxidophosphorus
  • Hydroxy-Phosphine oxide
  • Hydroxyphosphanone
  • Hypophosphite
  • Hypophosphorous
  • Hypophosphorous acid
  • Hypophosphorous acid (van)
  • Hypophosphorous acid solution
  • Hypophosphorous acid, phosphinate
  • Hypophosphorous acid, phosphinic acid
  • Hypophosphorus acid
  • Orthophosphorous acid
  • Orthophosphorus acid
  • Perfluoroalkyl (C6-C12) phosphonate
  • Perfluoroalkyl (C6-C12) phosphonic acid
  • Phosphinate
  • Phosphinate, bis(perfluoro-C6-12-alkyl) derivs.
  • Phosphinic acid
  • Phosphinic acid, bis(perfluoro-C6-12-alkyl) derivs.
  • Phosphonate, perfluoro-C6-12-alkyl derivs.
  • Phosphonic acid
  • Phosphonic acid, perfluoro-C6-12-alkyl derivs.
  • Phosphonous acid
  • Phosphonous acid (van)
  • Phosphorous acid
  • Phosphorous acid, ortho
  • Phosphorus acid
  • Phosphorus trihydroxide
  • Trihydroxyphosphine
  • [p(O)oh]
Chemical Formula: HO3P
Average Molecular Weight: 79.9799
Monoisotopic Molecular Weight: 79.96633041
InChI Key: UEZVMMHDMIWARA-UHFFFAOYSA-N
InChI:InChI=1S/HO3P/c1-4(2)3/h(H,1,2,3)
CAS number: 13598-36-2
IUPAC Name:oxophosphinic acid
Traditional IUPAC Name: oxophosphinic acid
SMILES:OP(=O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other nonmetals'.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Homogeneous other non-metal compounds
Sub ClassNot Available
Direct Parent Homogeneous other non-metal compounds
Alternative Parents
Substituents
  • Homogeneous other non metal
  • Inorganic oxide
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors Not Available
Physical Properties
State: Solid
Charge:0
Melting point: ~73 °C
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-0.91ChemAxon
pKa (Strongest Acidic)11.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.37 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.29 m3·mol-1ChemAxon
Polarizability4.29 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Water + Phosphonate > Hydrogen (gas) + Phosphate
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-408a359af20bf71db0c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-408a359af20bf71db0c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-408a359af20bf71db0c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-b06875719593bee60cd2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-b06875719593bee60cd2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-b06875719593bee60cd2View 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: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID16215
HMDB IDNot Available
Pubchem Compound ID6326969
Kegg IDC06701
ChemSpider ID2341689
Wikipedia IDNot Available
BioCyc IDPHOSPHONATE
EcoCyc IDPHOSPHONATE

Enzymes

Protein Details
• Alkaline phosphatase
General function:
Involved in catalytic activity
Specific function:
A phosphate monoester + H(2)O = an alcohol + phosphate
Gene Name:
phoA
Locus Tag:
PA3296
Molecular weight:
50.4 kDa
Reactions
A phosphate monoester + H(2)O = an alcohol + phosphate.

Transporters

Protein Details
• Putative phosphonates transport system permease protein phnE
General function:
Involved in transporter activity
Specific function:
Part of the binding-protein-dependent transport system for phosphonates; probably responsible for the translocation of the substrate across the membrane
Gene Name:
phnE
Locus Tag:
PA3382
Molecular weight:
28.4 kDa