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Record Information
Version3.6
Creation Date2006-08-13 05:42:32 UTC
Update Date2016-02-11 01:06:26 UTC
HMDB IDHMDB03840
Secondary Accession NumbersNone
Metabolite Identification
Common NamePhosphoroselenoic acid
DescriptionPhosphoroselenoic 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 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. (PMID: 18156471 ).
Structure
Thumb
Synonyms
ValueSource
[P(OH)3Se]ChEBI
SelenophosphateChEBI
Selenophosphoric acidGenerator
Monoselenophosphoric acidHMDB
SePO3HMDB
TrihydroxidoselenidophosphorusHMDB
Chemical FormulaH3O3PSe
Average Molecular Weight160.96
Monoisotopic Molecular Weight161.898502302
IUPAC Namehydroxy(selanylidene)phosphonous acid
Traditional Nameselenophosphoric acid
CAS Registry Number25758-66-1
SMILES
OP(O)(O)=[Se]
InChI Identifier
InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)
InChI KeyInChIKey=JRPHGDYSKGJTKZ-UHFFFAOYSA-N
Chemical 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.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassOther mixed metal/non-metal oxoanionic compounds
Sub ClassNon-metal selenophosphates
Direct ParentNon-metal selenophosphates
Alternative ParentsNot Available
Substituents
  • Non-metal selenophosphate
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
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-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
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
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
Pathways
NameSMPDB LinkKEGG Link
Selenoamino Acid MetabolismSMP00029map00450
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 IDFDB023234
KNApSAcK IDNot Available
Chemspider ID1061
KEGG Compound IDC05172
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
NuGOwiki LinkHMDB03840
Metagene LinkHMDB03840
METLIN IDNot Available
PubChem Compound1092
PDB IDNot Available
ChEBI ID29269
References
Synthesis ReferenceEphraim, F.; Majler, E. Selenophosphates. Berichte der Deutschen Chemischen Gesellschaft (1910), 43 277-85.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lobanov AV, Hatfield DL, Gladyshev VN: Selenoproteinless animals: selenophosphate synthetase SPS1 functions in a pathway unrelated to selenocysteine biosynthesis. Protein Sci. 2008 Jan;17(1):176-82. [18156471 ]

Enzymes

General function:
Involved in catalytic activity
Specific function:
Synthesizes selenophosphate from selenide and ATP.
Gene Name:
SEPHS1
Uniprot ID:
P49903
Molecular weight:
42910.325
Reactions
Adenosine triphosphate + Hydrogen selenide + Water → Adenosine monophosphate + Phosphoroselenoic acid + Phosphoric aciddetails
General function:
Involved in catalytic activity
Specific function:
Synthesizes selenophosphate from selenide and ATP.
Gene Name:
SEPHS2
Uniprot ID:
Q99611
Molecular weight:
47304.695
Reactions
Adenosine triphosphate + Hydrogen selenide + Water → Adenosine monophosphate + Phosphoroselenoic acid + Phosphoric aciddetails
General function:
Involved in catalytic activity
Specific function:
Converts O-phosphoseryl-tRNA(Sec) to selenocysteinyl-tRNA(Sec) required for selenoprotein biosynthesis.
Gene Name:
SEPSECS
Uniprot ID:
Q9HD40
Molecular weight:
55725.69
Reactions
O-phospho-L-seryl-tRNA(Sec) + Phosphoroselenoic acid → L-selenocysteinyl-tRNA(Sec) + Phosphoric aciddetails
O-Phosphoseryl-tRNA(Sec) + Phosphoroselenoic acid + Water → L-Selenocysteinyl-tRNA(Sec) + Phosphoric aciddetails