Bovine Metabolome Database: Showing metabocard for Selenium (BMDB0001349)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References enzymes (20) Show 20 proteins XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:44:33 UTC

Update Date

2020-06-04 20:44:34 UTC

BMDB ID

BMDB0001349

Secondary Accession Numbers

BMDB01349

Metabolite Identification

Common Name

Selenium

Description

Selenium, 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Se(2-)	ChEBI

Chemical Formula

Average Molecular Weight

78.96

Monoisotopic Molecular Weight

79.916521828

IUPAC Name

selandiide

Traditional Name

selandiide

CAS Registry Number

22541-48-6

SMILES

[Se--]

InChI Identifier

InChI=1S/Se/q-2

InChI Key

HMUBNCUQSSTAIB-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'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous other non-metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous other non-metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous other non metal

Molecular Framework

Not Available

External Descriptors

elemental selenium (CHEBI:15076 )
an anion (SE-2 )

Ontology

Status

Detected and Quantified

Origin

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cytoplasm

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.11 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-b0759ba90e57e47d8446	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-b0759ba90e57e47d8446	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-b0759ba90e57e47d8446	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-7f9f44f14fd3479448b7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-7f9f44f14fd3479448b7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-7f9f44f14fd3479448b7	View in MoNA

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Brain
Erythrocyte
Hair
Kidney
Liver
Milk
Placenta
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1.4 +/- 0.2 uM	Not Specified	Not Specified	Normal	Aidin Foroutan, C...	details
Brain	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Erythrocyte	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Hair	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Kidney	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Liver	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Milk	Detected and Quantified	0.279 - 0.494 uM	Not Specified	Not Specified	Normal	Z. Dobrzański, R....	details
Milk	Detected and Quantified	0.195 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.177 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.21 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.208 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.177 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.204 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.204 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.204 uM	Not Specified	Not Specified	Normal	Fooddata+, T...	details
Milk	Detected and Quantified	0.122 uM	Not Specified	Not Specified	Normal	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	0.36 +/- 0.09 uM	Not Specified	Not Specified	Normal	A. PECHOVÁ et al....	details
Milk	Detected and Quantified	0.3 +/- 0.1 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	0.35 +/- 0.02 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	0.36 +/- 0.03 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	0.165 +/- 0.0127 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.33 +/- 0.04 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	0.147 +/- 0.00127 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.162 +/- 0.00507 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.138 +/- 0.00253 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.114 +/- 0.0127 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.0545 +/- 0.00253 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Placenta	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Skeletal Muscle	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Fatal bovine respiratory disease	PMID: 19275474	details

External Links

HMDB ID

HMDB0304483

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB031170

KNApSAcK ID

C00013092

Chemspider ID

96846

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107674

PDB ID

Not Available

ChEBI ID

15076

References

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)

Not Available

General References

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.
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.
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.
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.
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.
Fooddata+, The Technical University of Denmark (DTU) [Link]

Enzymes

Enzyme Details

1. Ethanolaminephosphotransferase 1

General function:: Involved in ethanolaminephosphotransferase activity
Specific function:: Catalyzes phosphatidylethanolamine biosynthesis from CDP-ethanolamine. It thereby plays a central role in the formation and maintenance of vesicular membranes. Involved in the foramtion of phosphatidylethanolamine via 'Kennedy' pathway (By similarity).
Gene Name:: SELENOI
Uniprot ID:: Q17QM4
Molecular weight:: 45214.0

Enzyme Details

2. Thioredoxin reductase 2, mitochondrial

General function:: Energy production and conversion
Specific function:: Involved in the control of reactive oxygen species levels and the regulation of mitochondrial redox homeostasis (By similarity). Maintains thioredoxin in a reduced state. May play a role in redox-regulated cell signaling.
Gene Name:: TXNRD2
Uniprot ID:: Q9N2I8
Molecular weight:: 54670.0

Enzyme Details

3. Selenocysteine lyase

General function:: Amino acid transport and metabolism
Specific function:: Catalyzes the decomposition of L-selenocysteine to L-alanine and elemental selenium.
Gene Name:: SCLY
Uniprot ID:: A2VDS1
Molecular weight:: 47204.0

Enzyme Details

4. Thioredoxin reductase 1, cytoplasmic

General function:: Energy production and conversion
Specific function:: Not Available
Gene Name:: TXNRD1
Uniprot ID:: O62768
Molecular weight:: 54770.0

Enzyme Details

5. Phospholipid hydroperoxide glutathione peroxidase

General function:: Posttranslational modification, protein turnover, chaperones
Specific function:: Essential antioxidant peroxidase that directly reduces phospholipid hydroperoxide even if they are incorporated in membranes and lipoproteins (By similarity). Can also reduce fatty acid hydroperoxide, cholesterol hydroperoxide and thymine hydroperoxide (By similarity). Plays a key role in protecting cells from oxidative damage by preventing membrane lipid peroxidation. Required to prevent cells from ferroptosis, a non-apoptotic cell death resulting from an iron-dependent accumulation of lipid reactive oxygen species. The presence of selenocysteine (Sec) versus Cys at the active site is essential for life: it provides resistance to overoxidation and prevents cells against ferroptosis. The presence of Sec at the active site is also essential for the survival of a specific type of parvalbumin-positive interneurons, thereby preventing against fatal epileptic seizures. May be required to protect cells from the toxicity of ingested lipid hydroperoxides. Required for normal sperm development and male fertility. Essential for maturation and survival of photoreceptor cells. Plays a role in a primary T-cell response to viral and parasitic infection by protecting T-cells from ferroptosis and by supporting T-cell expansion (By similarity).
Gene Name:: GPX4
Uniprot ID:: Q9N2J2
Molecular weight:: 22240.0

Enzyme Details

6. Glutathione peroxidase 3

General function:: Posttranslational modification, protein turnover, chaperones
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:: P37141
Molecular weight:: 25663.0

Enzyme Details

7. Iodothyronine deiodinase

General function:: Involved in selenium binding
Specific function:: Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine).
Gene Name:: DIO2
Uniprot ID:: Q5I3B0
Molecular weight:: 3734.0

Enzyme Details

8. Glutathione peroxidase 1

General function:: Posttranslational modification, protein turnover, chaperones
Specific function:: Protects the hemoglobin in erythrocytes from oxidative breakdown.
Gene Name:: GPX1
Uniprot ID:: P00435
Molecular weight:: 22659.0

Enzyme Details

9. Iodothyronine deiodinase

General function:: Involved in selenium binding
Specific function:: Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine).
Gene Name:: Not Available
Uniprot ID:: Q9BDR5
Molecular weight:: 11173.0

Enzyme Details

10. Type II iodothyronine deiodinase

General function:: Involved in selenium binding
Specific function:: Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine) into T3 (3,5,3'-triiodothyronine). Essential for providing the brain with appropriate levels of T3 during the critical period of development.
Gene Name:: DIO2
Uniprot ID:: Q5I3B2
Molecular weight:: 30303.0

Enzyme Details

11. Methionine-R-sulfoxide reductase B1

General function:: Posttranslational modification, protein turnover, chaperones
Specific function:: Methionine-sulfoxide reductase that specifically reduces methionine (R)-sulfoxide back to methionine. While in many cases, methionine oxidation is the result of random oxidation following oxidative stress, methionine oxidation is also a post-translational modification that takes place on specific residue. Acts as a regulator of actin assembly by reducing methionine (R)-sulfoxide mediated by MICALs (MICAL1, MICAL2 or MICAL3) on actin, thereby promoting filament repolymerization. Plays a role in innate immunity by reducing oxidized actin, leading to actin repolymerization in macrophages.
Gene Name:: MSRB1
Uniprot ID:: Q3MHL9
Molecular weight:: 12833.0

Enzyme Details

12. Thyroxine 5-deiodinase

General function:: Involved in selenium binding
Specific function:: Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine) into RT3 (3,3',5'-triiodothyronine) and of T3 (3,5,3'-triiodothyronine) into T2 (3,3'-diiodothyronine). RT3 and T2 are inactive metabolites. May play a role in preventing premature exposure of developing fetal tissues to adult levels of thyroid hormones. Can regulate circulating fetal thyroid hormone concentrations throughout gestation. Essential role for regulation of thyroid hormone inactivation during embryological development.
Gene Name:: DIO3
Uniprot ID:: Q5I3B1
Molecular weight:: 33888.0

Enzyme Details

13. Selenide, water dikinase 1

General function:: Amino acid transport and metabolism
Specific function:: Synthesizes selenophosphate from selenide and ATP.
Gene Name:: SEPHS1
Uniprot ID:: Q0VC82
Molecular weight:: 42881.0

Enzyme Details

14. Thioredoxin reductase-like selenoprotein T

General function:: Involved in selenium binding
Specific function:: Selenoprotein with thioredoxin reductase-like oxidoreductase activity (By similarity). Protects dopaminergic neurons against oxidative stress ans cell death (By similarity). Involved in ADCYAP1/PACAP-induced calcium mobilization and neuroendocrine secretion (By similarity). Plays a role in fibroblast anchorage and redox regulation (By similarity). In gastric smooth muscle, modulates the contraction processes through the regulation of calcium release and MYLK activation (By similarity). In pancreatic islets, involved in the control of glucose homeostasis, contributes to prolonged ADCYAP1/PACAP-induced insulin secretion (By similarity).
Gene Name:: SELENOT
Uniprot ID:: A6QP01
Molecular weight:: 22248.0

Enzyme Details

15. Selenoprotein S

General function:: Involved in selenium binding
Specific function:: Involved in the degradation process of misfolded endoplasmic reticulum (ER) luminal proteins. Participates in the transfer of misfolded proteins from the ER to the cytosol, where they are destroyed by the proteasome in a ubiquitin-dependent manner. Probably acts by serving as a linker between DERL1, which mediates the retrotranslocation of misfolded proteins into the cytosol, and the ATPase complex VCP, which mediates the translocation and ubiquitination (By similarity).
Gene Name:: SELENOS
Uniprot ID:: Q2KI76
Molecular weight:: 21385.0

Enzyme Details

16. Selenoprotein P

General function:: Inorganic ion transport and metabolism
Specific function:: Constitutes a major selenium pool in the brain and may play an important role in developing and/or modulating the morphology of neurons and/or glial cells.
Gene Name:: SELENOP
Uniprot ID:: P49907
Molecular weight:: 45488.0

Enzyme Details

17. Selenoprotein K

General function:: Involved in selenium binding
Specific function:: Required for Ca(2+) flux in immune cells and plays a role in T-cell proliferation and in T-cell and neutrophil migration (By similarity). Involved in endoplasmic reticulum-associated degradation (ERAD) of soluble glycosylated proteins (By similarity). Required for palmitoylation and cell surface expression of CD36 and involved in macrophage uptake of low-density lipoprotein and in foam cell formation (By similarity). Together with ZDHHC6, required for palmitoylation of ITPR1 in immune cells, leading to regulate ITPR1 stability and function. Plays a role in protection of cells from ER stress-induced apoptosis. Protects cells from oxidative stress when overexpressed in cardiomyocytes (By similarity).
Gene Name:: SELENOK
Uniprot ID:: Q32PE3
Molecular weight:: 10805.0

Enzyme Details

18. Selenoprotein F

General function:: Involved in selenium binding
Specific function:: May be involved in redox reactions associated with the formation of disulfide bonds (By similarity). May contribute to the quality control of protein folding in the endoplasmic reticulum. May regulate protein folding by enhancing the catalytic activity of UGGT1/UGCGL1 and UGGT2/UGCGL2 (By similarity).
Gene Name:: SELENOF
Uniprot ID:: A8YXY3
Molecular weight:: 17975.0

Enzyme Details

19. Migration and invasion enhancer 1

General function:: Involved in selenium binding
Specific function:: Increases cell migration by inducing filopodia formation at the leading edge of migrating cells. Plays a role in regulation of apoptosis, possibly through control of CASP3. May be involved in a redox-related process (By similarity).
Gene Name:: MIEN1
Uniprot ID:: Q148C8
Molecular weight:: 12342.0

Enzyme Details

20. Methanethiol oxidase

General function:: Involved in selenium binding
Specific function:: Catalyzes the oxidation of methanethiol, an organosulfur compound known to be produced in substantial amounts by gut bacteria (By similarity). Selenium-binding protein which may be involved in the sensing of reactive xenobiotics in the cytoplasm. May be involved in intra-Golgi protein transport.
Gene Name:: SELENBP1
Uniprot ID:: Q2KJ32
Molecular weight:: 52555.0

Showing metabocard for Selenium (BMDB0001349)

Structure for BMDB0001349 (Selenium)

Enzymes