ContaminantDB: Sodium selenate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (4)XML

Record Information

Version

1.0

Creation Date

2009-06-22 16:08:39 UTC

Update Date

2016-11-09 01:08:34 UTC

Accession Number

CHEM001565

Identification

Common Name

Sodium selenate

Class

Small Molecule

Description

Sodium selenate is a chemical compound of selenide. It is used as a mineral supplement. Selenium is a nonmetal element with the atomic number 34 and the chemical symbol Se. Selenium rarely occurs in its elemental state in nature and is usually found in sulfide ores such as pyrite, partially replacing the sulfur in the ore matrix. It may also be found in silver, copper, lead, and nickel minerals. Though selenium salts are toxic in large amounts, trace amounts of the element are necessary for cellular function in most animals, forming the active center of the enzymes glutathione peroxidase, thioredoxin reductase, and three known deiodinase enzymes. (4, 5)

Contaminant Sources

Clean Air Act Chemicals
IARC Carcinogens Group 3
T3DB toxins

Contaminant Type

Household Toxin
Inorganic Compound
Pollutant
Selenium Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Natriumseleniat	ChEBI
Selenic acid, disodium salt	ChEBI
Sodium selenium oxide	ChEBI
Selenate, disodium salt	Generator
Selenate	Generator
Sodium selenic acid	Generator
Monosodium selenate	MeSH
Disodium selenate	MeSH
Selenic acid, magnesium salt	MeSH
Magnesium selenate	MeSH
Selenate, sodium	MeSH
Calcium selenate	MeSH
Selenic acid, potassium salt	MeSH
Selenate, disodium	MeSH
Selenate, magnesium	MeSH
Selenic acid, monosodium salt	MeSH
Selenic acid, calcium salt	MeSH
Selenic acid, disodium salt, 75Se-labeled	MeSH
Selenic acid, disodium salt, decahydrate	MeSH
Acid, selenic	MeSH
Ammonium selenate	MeSH
Potassium selenate	MeSH
Selenate, ammonium	MeSH
Selenate, calcium	MeSH
Selenate, monosodium	MeSH
Selenate, potassium	MeSH
Selenic acid, diammonium salt	MeSH
Selenic acid	MeSH
Selenic acid, ammonium salt	MeSH

Chemical Formula

Na₂O₄Se

Average Molecular Mass

188.940 g/mol

Monoisotopic Mass

189.876 g/mol

CAS Registry Number

13410-01-0

IUPAC Name

disodium selenate

Traditional Name

disodium selenate

SMILES

[Na+].[Na+].[O-][Se]([O-])(=O)=O

InChI Identifier

InChI=1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2

InChI Key

MHQOTKLEMKRJIR-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal selenates. These are inorganic compounds in which the largest oxoanion is selenate, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal selenates

Direct Parent

Alkali metal selenates

Alternative Parents

Substituents

Alkali metal selenate
Inorganic sodium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic sodium salt (CHEBI:77775 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Biological Roles

EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor

Chemical Roles

EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-1.6	ChemAxon
pKa (Strongest Acidic)	10.28	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	18.89 m³·mol⁻¹	ChemAxon
Polarizability	6.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-0900000000-794bc77b4f642afc49b6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-f968c3aa06ff048f6e3b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0900000000-d83428135a987d7b86de	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-3900000000-31f0cc4d47df2d5f81ae	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3) ; dermal (3)

Mechanism of Toxicity

Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (3)

Metabolism

Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (3)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

3, not classifiable as to its carcinogenicity to humans. (2)

Uses/Sources

Sodium selenate is used as a mineral supplement. (5)

Minimum Risk Level

Chronic Oral: 0.005 mg/kg/day (1)

Health Effects

Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (3)

Symptoms

Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. (3)

Treatment

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Concentrations

Not Available

External Links

DrugBank ID

DB11068

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID