MiMeDB: Showing metabocard for Selenium (MMDBc0029627)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:35:13 UTC

Update Date

2024-04-30 19:39:39 UTC

Metabolite ID

MMDBc0029627

Metabolite Identification

Common Name

Selenium

Description

Selenium 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

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
Se(2+)	ChEBI
Se2+	ChEBI
Selenium dication	ChEBI
Selanediide	HMDB
Selenide	HMDB
Selenide(2-)	HMDB
Selenium ion (se2+)	HMDB

Molecular Formula

Average Mass

78.96

Monoisotopic Mass

79.916521828

IUPAC Name

selandiylium

Traditional Name

selandiylium

CAS Registry Number

7782-49-2

SMILES

[Se++]

InChI Identifier

InChI=1S/Se/q+2

InChI Key

MFSBVGSNNPNWMD-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

monoatomic dication (CHEBI:60871 )
selenium ion (CHEBI:60871 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Physiological Charge	2	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	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-ad1e04375c75e553c27b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-ad1e04375c75e553c27b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-ad1e04375c75e553c27b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-d9ac578ecd68e91829fb	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-d9ac578ecd68e91829fb	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-d9ac578ecd68e91829fb	2016-08-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Brain
Cerebrospinal Fluid (CSF)
Erythrocyte
Hair
Kidney
Liver
Placenta
Saliva
Skeletal Muscle
Urine

Tissue Locations

Brain
Erythrocyte
Hair
Kidney
Liver
Placenta
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191805	Thioredoxin reductase 1, cytoplasmic	Unknown	Q16881	Homo sapiens
MMDBp0191829	Thioredoxin reductase 2, mitochondrial	Unknown	Q9NNW7	Homo sapiens
MMDBp0192294	Selenide, water dikinase 1	Enzyme	P49903	Homo sapiens
MMDBp0192299	Selenide, water dikinase 2	Enzyme	Q99611	Homo sapiens
MMDBp0192429	Glutathione peroxidase 7	Enzyme	Q96SL4	Homo sapiens
MMDBp0192430	Epididymal secretory glutathione peroxidase	Enzyme	O75715	Homo sapiens
MMDBp0192445	Glutathione peroxidase 6	Enzyme	P59796	Homo sapiens
MMDBp0192448	Glutathione peroxidase 1	Enzyme	P07203	Homo sapiens
MMDBp0192449	Phospholipid hydroperoxide glutathione peroxidase, mitochondrial	Enzyme	P36969	Homo sapiens
MMDBp0192450	Glutathione peroxidase 3	Enzyme	P22352	Homo sapiens
MMDBp0192453	Glutathione peroxidase 2	Enzyme	P18283	Homo sapiens
MMDBp0192670	Type I iodothyronine deiodinase	Enzyme	P49895	Homo sapiens
MMDBp0192671	Type II iodothyronine deiodinase	Enzyme	Q92813	Homo sapiens
MMDBp0194051	Thioredoxin reductase 3	Unknown	Q86VQ6	Homo sapiens
MMDBp0191675	Ethanolaminephosphotransferase 1	Enzyme	Q9C0D9	Saccharomyces cerevisiae
MMDBp0195731	O-phosphoseryl-tRNA(Sec) selenium transferase	Enzyme	Q9HD40	Homo sapiens
MMDBp0195889	Aflatoxin B1 aldehyde reductase member 4	Enzyme	Q8NHP1	Homo sapiens
MMDBp0196215	Methionine-R-sulfoxide reductase B1	Enzyme	Q9NZV6	Homo sapiens
MMDBp0196298	Selenium-binding protein 1	Unknown	Q13228	Homo sapiens
MMDBp0196299	Selenoprotein P	Unknown	P49908	Homo sapiens
MMDBp0196300	15 kDa selenoprotein	Unknown	O60613	Homo sapiens
MMDBp0196301	Selenoprotein N	Unknown	Q9NZV5	Homo sapiens
MMDBp0196302	Selenoprotein W	Unknown	P63302	Homo sapiens
MMDBp0196303	Selenoprotein S	Unknown	Q9BQE4	Homo sapiens
MMDBp0196304	Selenoprotein K	Unknown	Q9Y6D0	Homo sapiens
MMDBp0196305	Selenoprotein M	Unknown	Q8WWX9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.008		0.0009	0.024	uM	Adult (>18 years old)	Both	Normal	HMDB	1641639
Human Urine	Detected and Quantified	0.0103		0.00196	0.0479	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	28478178
Human Saliva	Detected and Quantified	0.0291	0.0152			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	3685943
Human Urine	Detected and Quantified	0.149		0.028	0.345	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.320	0.038			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	22546835
Human Blood	Detected and Quantified	0.85		0.82	0.90	uM	Adult (>18 years old)	Both	Normal	HMDB	16351774
Human Saliva	Detected and Quantified	11.525	16.971			uM	Adult (>18 years old)	Male	Normal	HMDB	10378074
Human Saliva	Detected and Quantified	8.105	10.638			uM	Adult (>18 years old)	Male	Normal	HMDB	10378074
Human Urine	Detected and Quantified	0.03	0.01			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	0.08984		0.07908	0.10087	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E
Human Urine	Detected and Quantified	0.11346		0.07724	0.15010	umol/mmol creatinine		Both	Normal	HMDB	Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E
Human Blood	Detected and Quantified	2.41877		2.31742	2.53765	uM		Both	Normal	HMDB	Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E
Human Blood	Detected and Quantified	2.57769		2.50136	2.66278	uM	Adult (>18 years old)	Both	Normal	HMDB	Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E
Human Saliva	Detected and Quantified	0.245	0.09			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Blood	Detected and Quantified			0.95	2.10	uM	Adult (>18 years old)	Male	Normal	HMDB	Molecular You (https://molecularyou.com)
Human Blood	Detected and Quantified			0.95	2.10	uM	Adult (>18 years old)	Female	Normal	HMDB	Molecular You (https://molecularyou.com)
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Hair	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001349

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB013400

KNApSAcK ID

Not Available

Chemspider ID

27471292

KEGG Compound ID

C01529

BioCyc ID

Not Available

BiGG ID

37794

Wikipedia Link

Selenium

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

60871

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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. doi: 10.1385/BTER:77:3:209. [PubMed:11204463 ]
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. doi: 10.1039/b006281m. [PubMed:11219076 ]
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. doi: 10.1016/s0048-9697(00)00815-9. [PubMed:11305344 ]
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. doi: 10.1385/BTER:79:3:221. [PubMed:11354347 ]
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. doi: 10.2114/jpa.20.81. [PubMed:11385942 ]
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 ]
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. doi: 10.1111/j.1471-0528.2001.00253.x. [PubMed:11702843 ]
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. doi: 10.1203/00006450-200201000-00013. [PubMed:11756642 ]
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 ]
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 ]
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. doi: 10.1016/s0048-9697(01)00892-0. [PubMed:11874044 ]
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. doi: 10.1385/BTER:85:3:277. [PubMed:11934251 ]
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. doi: 10.1385/BTER:86:2:137. [PubMed:12008976 ]
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. doi: 10.1016/s0002-8223(02)90244-0. [PubMed:12171452 ]
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. doi: 10.1385/BTER:90:1-3:71. [PubMed:12666827 ]
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. doi: 10.2188/jea.13.1sup_92. [PubMed:12701635 ]
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 ]
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. doi: 10.1042/BJ20050149. [PubMed:15720294 ]
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. doi: 10.1146/annurev.nutr.24.012003.132120. [PubMed:16011466 ]
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. doi: 10.1016/j.jtemb.2005.02.009. [PubMed:16028492 ]
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. doi: 10.1385/BTER:106:2:133. [PubMed:16116245 ]
Kohrle J: Selenium and the control of thyroid hormone metabolism. Thyroid. 2005 Aug;15(8):841-53. doi: 10.1089/thy.2005.15.841. [PubMed:16131327 ]
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. doi: 10.1002/jbt.20088. [PubMed:16173057 ]
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. doi: 10.1089/ars.2005.7.1715. [PubMed:16356132 ]
Angstwurm MW, Gaertner R: Practicalities of selenium supplementation in critically ill patients. Curr Opin Clin Nutr Metab Care. 2006 May;9(3):233-8. doi: 10.1097/01.mco.0000222105.30795.7f. [PubMed:16607122 ]

Showing metabocard for Selenium (MMDBc0029627)

MOL for #<Metabolite:0x00005634c2833158>

3D MOL for #<Metabolite:0x00005634c2833158>

3D SDF for #<Metabolite:0x00005634c2833158>

3D-SDF for #<Metabolite:0x00005634c2833158>

PDB for #<Metabolite:0x00005634c2833158>

3D PDB for #<Metabolite:0x00005634c2833158>

SMILES for #<Metabolite:0x00005634c2833158>

INCHI for #<Metabolite:0x00005634c2833158>

Structure for #<Metabolite:0x00005634c2833158>

3D Structure for #<Metabolite:0x00005634c2833158>