Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB000525
Identification
Name: Phosphoroselenoic acid
Description:Phosphoroselenoic acid, H3SePO3, is the activated selenium donor compound required for the biosynthesis of selenocysteyl-tRNA, the precursor of specific selenocysteine residues in bacterial and mammalian selenoproteins. Selenocysteine is often called the 21st amino acid, because Sec has a specific tRNA and codon UGA, and shares a major stop codon UGA. A number of enzymes have selenocysteine, residues and in some cases at their active sites. Proteins containing the 21st amino acid, selenocysteine (Sec), have been described in all three domains of life.
Structure
Thumb
Synonyms:
  • Monoselenophosphate
  • Monoselenophosphorate
  • Monoselenophosphoric acid
  • Phosphoroselenoate
  • Selenophosphate
  • Selenophosphorate
  • Selenophosphoric acid
  • SePO3
  • Trihydroxidoselenidophosphorus
  • [P(OH)3Se]
Chemical Formula: H3O3PSe
Average Molecular Weight: 160.96
Monoisotopic Molecular Weight: 161.898502302
InChI Key: JRPHGDYSKGJTKZ-UHFFFAOYSA-N
InChI:InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)
CAS number: 25758-66-1
IUPAC Name:hydroxy(selanylidene)phosphonous acid
Traditional IUPAC Name: selenophosphoric acid
SMILES:OP(O)(O)=[Se]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal selenophosphates. These are inorganic compounds in which the largest oxoanion is selenophosphate, and in which the heaviest atom not in an oxoanion is a non-metal element.
Kingdom Inorganic compounds
Super ClassMixed metal/non-metal compounds
Class Other mixed metal/non-metal oxoanionic compounds
Sub ClassNon-metal selenophosphates
Direct Parent Non-metal selenophosphates
Alternative Parents Not Available
Substituents
  • Non-metal selenophosphate
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-3
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-1.1ChemAxon
pKa (Strongest Acidic)0.018ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area60.69 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.32 m3·mol-1ChemAxon
Polarizability7.23 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-1f4443872a69e75b6bdbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-080a642c7d3be639b5e4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-1900000000-3869630825a1dc7ee071View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-1900000000-7c4cc2e6d42e57db69e1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9400000000-26abcaf5c7c97fc49c19View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-3900000000-93b2ddc3ff356009e71cView 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
  • Lobanov, A. V., Hatfield, D. L., Gladyshev, V. N. (2008). "Selenoproteinless animals: selenophosphate synthetase SPS1 functions in a pathway unrelated to selenocysteine biosynthesis." Protein Sci 17:176-182. Pubmed: 18156471
Synthesis Reference: Ephraim, F.; Majler, E. Selenophosphates. Berichte der Deutschen Chemischen Gesellschaft (1910), 43 277-85.
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID16144
HMDB IDHMDB03840
Pubchem Compound ID1092
Kegg IDC05172
ChemSpider ID1061
Wikipedia IDNot Available
BioCyc IDNot Available