Showing metabocard for Selenium (BMDB0001349)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:44:33 UTC
Update Date2020-06-04 20:44:34 UTC
MCDB ID BMDB0001349
Secondary Accession Numbers
  • BMDB01349
Metabolite Identification
Common NameSelenium
DescriptionSelenium, also known as se(2-), 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'. Selenium is possibly soluble (in water) and possibly neutral. In cattle, selenium is involved in the metabolic pathway called the selenoamino acid metabolism pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Se(2-)ChEBI
Chemical FormulaSe
Average Molecular Weight78.96
Monoisotopic Molecular Weight79.916521828
IUPAC Nameselandiide
Traditional Nameselandiide
CAS Registry Number22541-48-6
SMILES
[Se--]
InChI Identifier
InChI=1S/Se/q-2
InChI KeyHMUBNCUQSSTAIB-UHFFFAOYSA-N
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
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-b0759ba90e57e47d84462015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-b0759ba90e57e47d84462015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-b0759ba90e57e47d84462015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b72015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b72015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-7f9f44f14fd3479448b72015-09-15View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.4 +/- 0.1 uM
  • A. PECHOVÁ et al....
 details
Detected and Quantified0.195 uM details
Detected and Quantified0.177 uM details
Detected and Quantified0.21 uM details
Detected and Quantified0.208 uM details
Detected and Quantified0.177 uM details
Detected and Quantified0.204 uM details
Detected and Quantified0.204 uM details
Detected and Quantified0.204 uM details
Detected and Quantified0.122 uM
  • Park, Y. W; Juáre...
 details
Detected and Quantified0.3 +/- 0.1 uM details
Detected and Quantified0.35 +/- 0.02 uM details
Detected and Quantified0.36 +/- 0.03 uM details
Detected and Quantified0.33 +/- 0.04 uM details
Detected and Quantified0.279 - 0.494 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified0.2 +/- 0.013 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.2 +/- 0.0013 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.162 +/- 0.0051 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.14 +/- 0.00253 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.114 +/- 0.013 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.1 +/- 0.00253 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0304483
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031170
KNApSAcK IDC00013092
Chemspider ID96846
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound107674
PDB IDNot Available
ChEBI ID15076
References
Synthesis ReferenceZhu, 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)Not Available
General References
  1. A. Pechová, L. Pavlata, R. Dvořák, E. Lokajová (2008). A. PECHOVÁ et al. Contents of Zn, Cu, Mn and Se in Milk in Relation to their Concentrations in Blood, Milk Yield and Stage of Lactation in Dairy Cattle. Acta Vet. Brno 2008, 77: 523-531. Acta Vet. Brno.
  2. Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. (2005). Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689. Polish Journal of Environmental Studies.
  3. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  4. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  5. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.
  6. Fooddata+, The Technical University of Denmark (DTU) [Link]