Record Information
Version1.0
Creation Date2016-05-26 19:23:40 UTC
Update Date2016-11-09 01:22:10 UTC
Accession NumberCHEM039957
Identification
Common NameSelenite
ClassSmall Molecule
DescriptionSelenious acid is the acid form of sodium selenite, a form of selenium . Selenium is an essential trace element and antioxidant. It is a cofactor metabolic enzyme regulation. It also plays an important role in maintaining the general health of tissue and muscle and has antioxidant properties. Selenium is a component of glutathione peroxidase enzyme, which protects cell components from oxidative damage due to peroxides produced during cellular metabolism . Selenium (Se) has been demonstrated to prevent cancer in numerous animal models when administered selenium at levels exceeding the nutritional requirements. One study showed efficacy in the prevention of malignancy while utilizing a selenium supplement in humans. The reports from such studies have heightened the interest in additional human selenium supplementation studies to validate the results in larger populations . Interestingly, selenium is being studied as a potential therapy in the prevention or management of atherosclerosis .
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
[seo(OH)2]ChEBI
Selenige saeureChEBI
Selenious acidChEBI
SeleniteMeSH
Acid, seleniousMeSH, HMDB
Acid, selenousMeSH, HMDB
Selenous acidMeSH
Chemical FormulaO3Se
Average Molecular Mass126.960 g/mol
Monoisotopic Mass127.901 g/mol
CAS Registry Number14124-67-5
IUPAC Nameselenous acid
Traditional Nameselenious acid
SMILES[O-][Se]([O-])=O
InChI IdentifierInChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
InChI KeyMCAHWIHFGHIESP-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal selenites. These are inorganic non-metallic compounds containing a selenite as its largest oxoanion.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassOther mixed metal/non-metal oxoanionic compounds
Sub ClassNon-metal selenites
Direct ParentNon-metal selenites
Alternative Parents
Substituents
  • Non-metal selenite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)1.2ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.69 m³·mol⁻¹ChemAxon
Polarizability5.84 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-0a19b2c40c0bb312f5beSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-2d351128f9b2f20dfe09Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-1900000000-05c2bdb35a9b9c97cdb2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-325ef2a28e83bf8a1866Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-1900000000-d86c195af2b279d0f220Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-86606fe3b82690787969Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-616e9f94feac061714a5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-616e9f94feac061714a5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-616e9f94feac061714a5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01q9-0900000000-61107e3ec0508cbb13a1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-2a925d81ebf5869af31dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-5f914f6d79d8dcc39f49Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB11127
HMDB IDHMDB0011119
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSelenite
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID1091
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDECMDB21355
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available