Record Information
Version2.0
Creation Date2012-05-31 13:50:31 -0600
Update Date2015-09-17 15:41:10 -0600
Secondary Accession Numbers
  • ECMDB01349
Identification
Name:Selenium
DescriptionSelenium salts are toxic in large amounts, but trace amounts of the element are necessary for cellular function in most. From about three billion years ago, prokaryotic selenoprotein families drive selenocysteine evolution. Selenium is incorporated into several prokaryotic selenoprotein families in bacteria, archaea and eukaryotes as selenocysteine, where selenoprotein peroxiredoxins protect bacterial and eukaryotic cells against oxidative damage. Selenium is an intermediate of selenoamino acid metabolism. (Wikipedia)
Structure
Thumb
Synonyms:
  • Se-2
  • Se-2
  • Selanediide
  • Selenide
  • Selenide ion
  • Selenide(2-)
  • Selenium
  • Selenium ion (Se2+)
Chemical Formula:Se
Weight:Average: 78.96
Monoisotopic: 79.916521828
InChI Key:MFSBVGSNNPNWMD-UHFFFAOYSA-N
InChI:InChI=1S/Se/q+2
CAS number:7782-49-2
IUPAC Name:selandiide
Traditional IUPAC Name:selandiide
SMILES:[Se++]
Chemical Taxonomy
Description 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 non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
State:Solid
Charge:0
Melting point:221 °C
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-0.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.11 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:
Selenium metabolismPW001894 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-b0759ba90e57e47d8446View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-b0759ba90e57e47d8446View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-b0759ba90e57e47d8446View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b7View 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
  • Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064
Synthesis Reference:Zhu, Shihui; Zhu, Liu; Kaisuya, Romeo; Shou, Jianchuan. Apparatus and process for production of high purity selenium. Faming Zhuanli Shenqing Gongkai Shuomingshu (2007), 12pp.
Material Safety Data Sheet (MSDS)Download (PDF)
External Links:
ResourceLink
CHEBI ID27568
HMDB IDHMDB01349
Pubchem Compound ID107674
Kegg IDC01529
ChemSpider ID96846
WikipediaSelenium
BioCyc IDSE-2
EcoCyc IDSE-2

Enzymes

General function:
Involved in catalytic activity
Specific function:
Synthesizes selenophosphate from selenide and ATP
Gene Name:
selD
Uniprot ID:
P16456
Molecular weight:
36687
Reactions
ATP + selenide + H(2)O = AMP + selenophosphate + phosphate.