Record Information
Version1.0
Creation Date2016-10-03 18:13:08 UTC
Update Date2020-04-22 15:42:47 UTC
BMDB IDBMDB0011119
Secondary Accession Numbers
  • BMDB11119
Metabolite Identification
Common NameSelenite
DescriptionSelenite, also known as selenite or selenite, 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. Selenite exists as a solid, possibly soluble (in water), and a moderately acidic compound (based on its pKa) molecule. Selenite exists in all living organisms, ranging from bacteria to humans. In cattle, selenite is involved in the metabolic pathway called the selenoamino acid metabolism pathway. Selenite is a potentially toxic compound.
Structure
Thumb
Synonyms
ValueSource
[seo(OH)2]ChEBI
Selenige saeureChEBI
Selenious acidChEBI
SeleniteMeSH
Acid, seleniousMeSH, HMDB
Acid, selenousMeSH, HMDB
Selenous acidMeSH
Chemical FormulaH2O3Se
Average Molecular Weight128.97
Monoisotopic Molecular Weight129.916915758
IUPAC Nameselenous acid
Traditional Nameselenious acid
CAS Registry Number7783-00-8
SMILES
O[Se](O)=O
InChI Identifier
InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)
InChI KeyMCAHWIHFGHIESP-UHFFFAOYSA-N
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
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-0a19b2c40c0bb312f5beView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-2d351128f9b2f20dfe09View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-1900000000-05c2bdb35a9b9c97cdb2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-325ef2a28e83bf8a1866View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-1900000000-d86c195af2b279d0f220View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-86606fe3b82690787969View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-616e9f94feac061714a5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-616e9f94feac061714a5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-616e9f94feac061714a5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01q9-0900000000-61107e3ec0508cbb13a1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-2a925d81ebf5869af31dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-5f914f6d79d8dcc39f49View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0011119
DrugBank IDDB11127
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSelenite
METLIN IDNot Available
PubChem Compound1091
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available