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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-16 13:35:56 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001349
Secondary Accession Numbers
  • HMDB01349
Metabolite Identification
Common NameSelenium
DescriptionSelenium-dependent enzymes and selenoprotein P regulate immune and endothelial cell function. (PMID: 16607122 ). Thyroid hormone synthesis, metabolism and action require adequate availability of the essential trace elements iodine and selenium, which affect homeostasis of thyroid hormone-dependent metabolic pathways. The three selenocysteine-containing iodothyronine deiodinases constitute a novel gene family. Selenium is retained and deiodinase expression is maintained at almost normal levels in the thyroid gland, the brain and several other endocrine tissues during selenium deficiency, thus guaranteeing adequate local and systemic levels of the active thyroid hormone T(3). (PMID: 16131327 ). The trace element nutrient selenium (Se) discharges its well-known nutritional antioxidant activity through the Se-dependent glutathione peroxidases. It also regulates nuclear factor activities by redox mechanisms through the selenoprotein thioredoxin reductases. Converging data from epidemiological, ecological, and clinical studies have shown that Se can decrease the risk for some types of human cancers, especially those of the prostate, lung, and colon. Mechanistic studies have indicated that the methylselenol metabolite pool has many desirable attributes of chemoprevention, targeting both cancer cells and vascular endothelial cells, whereas the hydrogen selenide pool in excess of selenoprotein synthesis can lead to DNA single strand breaks, which may be mediated by some reactive oxygen species. (PMID: 16356132 ). SePP (selenoprotein P) is the major transporter of Se in the serum. Moreover, in the sanctuary area of the brain, SePP was shown to play a hitherto unexpected role as a local Se storage and recycling protein that directly maintains brain Se levels. Physiologically, it exists as an ion in the body. The function of Se is important in normal brain metabolism, redox regulation, antioxidant defenses, thyroid hormone metabolism and the development of neurodegenerative conditions. (PMID: 15720294 ). In areas where soils are low in bioavailable selenium (Se), potential Se deficiencies cause health risks for humans. (PMID: 16028492 ) Dietary selenium comes from cereals, meat, fish, and eggs. The recommended dietary allowance for adults is 55 micrograms per day.
Structure
Data?1582752194
Synonyms
ValueSource
Se(2+)ChEBI
Se2+ChEBI
Selenium dicationChEBI
SelanediideHMDB
SelenideHMDB
Selenide(2-)HMDB
Selenium ion (se2+)HMDB
Chemical FormulaSe
Average Molecular Weight78.96
Monoisotopic Molecular Weight79.916521828
IUPAC Nameselandiylium
Traditional Nameselandiylium
CAS Registry Number7782-49-2
SMILES
[Se++]
InChI Identifier
InChI=1S/Se/q+2
InChI KeyMFSBVGSNNPNWMD-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
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Role
Industrial applicationBiological roleIndirect biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point221 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.11 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+117.59132859911
AllCCS[M-H]-141.25432859911
DeepCCS[M+H]+112.5730932474
DeepCCS[M-H]-110.83230932474
DeepCCS[M-2H]-146.0430932474
DeepCCS[M+Na]+119.39430932474
AllCCS[M+H]+117.632859911
AllCCS[M+H-H2O]+113.932859911
AllCCS[M+NH4]+121.032859911
AllCCS[M+Na]+122.032859911
AllCCS[M-H]-141.332859911
AllCCS[M+Na-2H]-153.032859911
AllCCS[M+HCOO]-165.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Selenium[Se++]706.2Standard polar33892256
Selenium[Se++]378.1Standard non polar33892256
Selenium[Se++]222.2Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 10V, Positive-QTOFsplash10-001i-9000000000-ad1e04375c75e553c27b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 20V, Positive-QTOFsplash10-001i-9000000000-ad1e04375c75e553c27b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 40V, Positive-QTOFsplash10-001i-9000000000-ad1e04375c75e553c27b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 10V, Negative-QTOFsplash10-001i-9000000000-d9ac578ecd68e91829fb2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 20V, Negative-QTOFsplash10-001i-9000000000-d9ac578ecd68e91829fb2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Selenium 40V, Negative-QTOFsplash10-001i-9000000000-d9ac578ecd68e91829fb2016-08-04Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Erythrocyte
  • Hair
  • Kidney
  • Liver
  • Placenta
  • Skeletal Muscle
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.95-2.10 uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified0.95-2.10 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified2.41877(2.31742-2.53765) uMNot AvailableBothNormal
    • Report on Human B...
details
BloodDetected and Quantified2.57769(2.50136-2.66278) uMAdult (>18 years old)BothNormal
    • Report on Human B...
details
BloodDetected and Quantified0.85 (0.82-0.90) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.008 (0.0009-0.024) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.320 +/- 0.038 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.245 +/- 0.09 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
details
SalivaDetected and Quantified0.0291 +/- 0.0152 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified11.525 +/- 16.971 uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified8.105 +/- 10.638 uMAdult (>18 years old)Male
Normal
details
UrineDetected and Quantified0.11346 (0.07724-0.15010) umol/mmol creatinineNot AvailableBothNormal
    • Report on Human B...
details
UrineDetected and Quantified0.08984(0.07908-0.10087) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Report on Human B...
details
UrineDetected and Quantified0.149 (0.028-0.345) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.03 +/- 0.01 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
details
UrineDetected and Quantified0.0103 (0.00196-0.0479) umol/mmol creatinineNewborn (0-30 days old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.95 +/- 0.15 uMElderly (>65 years old)BothPoor muscle strength details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013400
KNApSAcK IDNot Available
Chemspider ID27471292
KEGG Compound IDC01529
BioCyc IDNot Available
BiGG ID37794
Wikipedia LinkSelenium
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID60871
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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)Download (PDF)
General References
  1. Chuang IC, Lee PN, Lin TH, Chen GS: Determination of some elements in the cervical mucus of healthy Taiwanese women, by GF-AAS. Biol Trace Elem Res. 2002 May;86(2):137-43. [PubMed:12008976 ]
  2. Al-Kunani AS, Knight R, Haswell SJ, Thompson JW, Lindow SW: The selenium status of women with a history of recurrent miscarriage. BJOG. 2001 Oct;108(10):1094-7. [PubMed:11702843 ]
  3. Karita K, Suzuki T: Fish eating and variations in selenium and mercury levels in plasma and erythrocytes in free-living healthy Japanese men. Biol Trace Elem Res. 2002 Winter;90(1-3):71-81. [PubMed:12666827 ]
  4. Holben DH, Smith AM, Ilich JZ, Landoll JD, Holcomb JP, Matkovic V: Selenium intakes, absorption, retention, and status in adolescent girls. J Am Diet Assoc. 2002 Aug;102(8):1082-7. [PubMed:12171452 ]
  5. Raghunath R, Tripathi RM, Mahapatra S, Sadasivan S: Selenium levels in biological matrices in adult population of Mumbai, India. Sci Total Environ. 2002 Feb 21;285(1-3):21-7. [PubMed:11874044 ]
  6. Dawson EB, Albers JH, McGanity WJ: The apparent effect of iron supplementation on serum selenium levels in teenage pregnancy. Biol Trace Elem Res. 2000 Dec;77(3):209-17. [PubMed:11204463 ]
  7. Jablonska-Kaszewska I, Swiatkowska-Stodulska R, Lukasiak J, Dejneka W, Dorosz A, Dabrowska E, Falkiewicz B: Serum selenium levels in alcoholic liver disease. Med Sci Monit. 2003 Aug;9 Suppl 3:15-8. [PubMed:15156604 ]
  8. Orhan H, Evelo CT, Sahin G: Erythrocyte antioxidant defense response against cigarette smoking in humans--the glutathione S-transferase vulnerability. J Biochem Mol Toxicol. 2005;19(4):226-33. [PubMed:16173057 ]
  9. Spallholz JE, Boylan LM, Palace V, Chen J, Smith L, Rahman MM, Robertson JD: Arsenic and selenium in human hair: a comparison of five countries with and without arsenicosis. Biol Trace Elem Res. 2005 Aug;106(2):133-44. [PubMed:16116245 ]
  10. Hac E, Krechniak J, Szyszko M: Selenium levels in human plasma and hair in northern Poland. Biol Trace Elem Res. 2002 Mar;85(3):277-85. [PubMed:11934251 ]
  11. Wasowicz W, Gromadzinska J, Szram K, Rydzynski K, Cieslak J, Pietrzak Z: Selenium, zinc, and copper concentrations in the blood and milk of lactating women. Biol Trace Elem Res. 2001 Mar;79(3):221-33. [PubMed:11354347 ]
  12. Burk RF, Hill KE: Selenoprotein P: an extracellular protein with unique physical characteristics and a role in selenium homeostasis. Annu Rev Nutr. 2005;25:215-35. [PubMed:16011466 ]
  13. Karita K, Sasaki S, Ishihara J, Tsugane S: Validity of a self-administered food frequency questionnaire used in the 5-year follow-up survey of the JPHC Study to assess selenium intake: comparison with dietary records and blood levels. J Epidemiol. 2003 Jan;13(1 Suppl):S92-7. [PubMed:12701635 ]
  14. Diaz Romero C, Lopez Blanco F, Henriquez Sanchez P, Rodriguez E, Serra Majem L: Serum selenium concentration in a representative sample of the Canarian population. Sci Total Environ. 2001 Mar 26;269(1-3):65-73. [PubMed:11305344 ]
  15. Hawkes WC, Turek PJ: Effects of dietary selenium on sperm motility in healthy men. J Androl. 2001 Sep-Oct;22(5):764-72. [PubMed:11545288 ]
  16. Wang Z, Liu S, Wang J: [Changes of selenium concentration in blood and placenta in intrahepatic cholestasis of pregnancy]. Zhonghua Fu Chan Ke Za Zhi. 2000 Aug;35(8):476-8. [PubMed:11776202 ]
  17. Arnaud J, Malvy D, Richard MJ, Faure H, Chaventre A: Selenium status in an iodine deficient population of the West Ivory Coast. J Physiol Anthropol Appl Human Sci. 2001 Mar;20(2):81-4. [PubMed:11385942 ]
  18. Van Dael P, Davidsson L, Ziegler EE, Fay LB, Barclay D: Comparison of selenite and selenate apparent absorption and retention in infants using stable isotope methodology. Pediatr Res. 2002 Jan;51(1):71-5. [PubMed:11756642 ]
  19. Sun Y, Li HZ: Determination of trace selenium in human plasma and hair with ternary inclusion compound-fluorescent spectrophotometry. Analyst. 2000 Dec;125(12):2326-9. [PubMed:11219076 ]
  20. Xu D, Ong C, Shen H: [The associations between concentration of selenium in semen and sperm parameters as well as oxidative DNA damage in human sperm]. Zhonghua Yu Fang Yi Xue Za Zhi. 2001 Nov;35(6):394-6. [PubMed:11840768 ]
  21. Angstwurm MW, Gaertner R: Practicalities of selenium supplementation in critically ill patients. Curr Opin Clin Nutr Metab Care. 2006 May;9(3):233-8. [PubMed:16607122 ]
  22. Kohrle J: Selenium and the control of thyroid hormone metabolism. Thyroid. 2005 Aug;15(8):841-53. [PubMed:16131327 ]
  23. Lu J, Jiang C: Selenium and cancer chemoprevention: hypotheses integrating the actions of selenoproteins and selenium metabolites in epithelial and non-epithelial target cells. Antioxid Redox Signal. 2005 Nov-Dec;7(11-12):1715-27. [PubMed:16356132 ]
  24. Richardson DR: More roles for selenoprotein P: local selenium storage and recycling protein in the brain. Biochem J. 2005 Mar 1;386(Pt 2):e5-7. [PubMed:15720294 ]
  25. Hartikainen H: Biogeochemistry of selenium and its impact on food chain quality and human health. J Trace Elem Med Biol. 2005;18(4):309-18. [PubMed:16028492 ]

Only showing the first 10 proteins. There are 26 proteins in total.

Enzymes

General function:
Involved in oxidoreductase activity
Specific function:
Isoform 1 may possess glutaredoxin activity as well as thioredoxin reductase activity and induces actin and tubulin polymerization, leading to formation of cell membrane protrusions. Isoform 4 enhances the transcriptional activity of estrogen receptors alpha and beta while isoform 5 enhances the transcriptional activity of the beta receptor only. Isoform 5 also mediates cell death induced by a combination of interferon-beta and retinoic acid.
Gene Name:
TXNRD1
Uniprot ID:
Q16881
Molecular weight:
70905.58
General function:
Involved in oxidoreductase activity
Specific function:
Maintains thioredoxin in a reduced state. Implicated in the defenses against oxidative stress. May play a role in redox-regulated cell signaling.
Gene Name:
TXNRD2
Uniprot ID:
Q9NNW7
Molecular weight:
56506.275
General function:
Involved in catalytic activity
Specific function:
Synthesizes selenophosphate from selenide and ATP.
Gene Name:
SEPHS1
Uniprot ID:
P49903
Molecular weight:
42910.325
General function:
Involved in catalytic activity
Specific function:
Synthesizes selenophosphate from selenide and ATP.
Gene Name:
SEPHS2
Uniprot ID:
Q99611
Molecular weight:
47304.695
General function:
Involved in glutathione peroxidase activity
Specific function:
It protects esophageal epithelia from hydrogen peroxide-induced oxidative stress. It suppresses acidic bile acid-induced reactive oxigen species (ROS) and protects against oxidative DNA damage and double-strand breaks.
Gene Name:
GPX7
Uniprot ID:
Q96SL4
Molecular weight:
20995.88
General function:
Involved in glutathione peroxidase activity
Specific function:
Protects cells and enzymes from oxidative damage, by catalyzing the reduction of hydrogen peroxide, lipid peroxides and organic hydroperoxide, by glutathione. May constitute a glutathione peroxidase-like protective system against peroxide damage in sperm membrane lipids.
Gene Name:
GPX5
Uniprot ID:
O75715
Molecular weight:
25202.14
General function:
Involved in glutathione peroxidase activity
Specific function:
Not Available
Gene Name:
GPX6
Uniprot ID:
P59796
Molecular weight:
24970.46
General function:
Involved in glutathione peroxidase activity
Specific function:
Protects the hemoglobin in erythrocytes from oxidative breakdown.
Gene Name:
GPX1
Uniprot ID:
P07203
Molecular weight:
22087.94
General function:
Involved in glutathione peroxidase activity
Specific function:
Protects cells against membrane lipid peroxidation and cell death. Required for normal sperm development and male fertility. Could play a major role in protecting mammals from the toxicity of ingested lipid hydroperoxides. Essential for embryonic development. Protects from radiation and oxidative damage (By similarity).
Gene Name:
GPX4
Uniprot ID:
P36969
Molecular weight:
25046.57
General function:
Involved in glutathione peroxidase activity
Specific function:
Protects cells and enzymes from oxidative damage, by catalyzing the reduction of hydrogen peroxide, lipid peroxides and organic hydroperoxide, by glutathione.
Gene Name:
GPX3
Uniprot ID:
P22352
Molecular weight:
25552.185

Only showing the first 10 proteins. There are 26 proteins in total.