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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2017-03-23 06:09:54 UTC
Update Date2018-05-20 07:59:28 UTC
HMDB IDHMDB0062761
Secondary Accession Numbers
  • HMDB62761
Metabolite Identification
Common NameSelenate
DescriptionSelenate, also known as selenic acid, is a member of the class of compounds known as non-metal selanates. These are inorganic non-metallic compounds containing a selenate as its largest oxoanion. Selenate can be found in a number of foods such as chives, naranjillas, moth beans, other soy products, black crowberries, rapes, acorns, and Alaska blueberries. Selenates are analogous to sulfates and have similar chemistry (Wikipedia). They are highly soluble in aqueous solutions at ambient temperatures (Wikipedia). Selenate can be metabolized to methyl-2-acetamido-2-deoxy-1-seleno-β-D-galactopyranoside (SeSug1) and methyl-2-amino-2-deoxy-1-seleno-β-D-galactopyranoside (SeSug3) (PMID: 25270623 ). Selenate is metabolized only marginally and is excreted rapidly via urine generally (PMID: 25270623 ). Sodium selenate is effectively used for bio-fortification of crops hence fortifying food/feed to mitigate selenium deficiency in humans and livestock (Wikipedia). The decahydrate is a common ingredient in multivitamins and livestock feed as a source of selenium (Wikipedia).
Structure
Thumb
Synonyms
ValueSource
[SeO2(OH)2]ChEBI
H2SEO4ChEBI
SelenateGenerator
Acid, selenicMeSH
Ammonium selenateMeSH
Potassium selenateMeSH
Selenate, ammoniumMeSH
Selenate, calciumMeSH
Selenate, monosodiumMeSH
Selenic acid, ammonium saltMeSH
Magnesium selenateMeSH
Selenate, potassiumMeSH
Selenate, sodiumMeSH
Calcium selenateMeSH
Selenic acid, potassium saltMeSH
Monosodium selenateMeSH
Selenate, magnesiumMeSH
Selenic acid, monosodium saltMeSH
Selenic acid, calcium saltMeSH
Selenic acid, disodium salt, 75Se-labeledMeSH
Selenic acid, disodium salt, decahydrateMeSH
Sodium selenateMeSH
Selenate, disodiumMeSH
Selenic acid, diammonium saltMeSH
Disodium selenateMeSH
Selenic acid, magnesium saltMeSH
Chemical FormulaH2O4Se
Average Molecular Weight144.97
Monoisotopic Molecular Weight145.91183038
IUPAC Nameselenic acid
Traditional Nameselenic acid
CAS Registry Number14124-68-6
SMILES
O[Se](O)(=O)=O
InChI Identifier
InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)
InChI KeyQYHFIVBSNOWOCQ-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of inorganic compounds known as non-metal selenates. These are inorganic non-metallic compounds containing a selenate as its largest oxoanion.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassOther mixed metal/non-metal oxoanionic compounds
Sub ClassNon-metal selenates
Direct ParentNon-metal selenates
Alternative Parents
Substituents
  • Non-metal selenate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Biological location:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-1.6279ChemAxon
Predicted Properties
PropertyValueSource
logP-1.6ChemAxon
pKa (Strongest Acidic)-3.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity21.13 m³·mol⁻¹ChemAxon
Polarizability6.65 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
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, Positivesplash10-004i-0900000000-ccdf5bc6c2baca2f243eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0900000000-ce27aa482e96edc8d2c3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0900000000-a8b1c495851747f01491View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-1900000000-5aea84da45d6f46389b1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-b27e0c5103000de8e548View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-1900000000-5e615f49bdaf4a1a74a7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-30844102eaffa8a1b188View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0.00014 +/- 0.00023 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.0072 +/- 0.0015 umol/mmol creatinineAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC05697
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSelenic acid
METLIN IDNot Available
PubChem Compound1089
PDB IDNot Available
ChEBI ID18170
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Jager T, Drexler H, Goen T: Human metabolism and renal excretion of selenium compounds after oral ingestion of sodium selenate dependent on trimethylselenium ion (TMSe) status. Arch Toxicol. 2016 Jan;90(1):149-58. doi: 10.1007/s00204-014-1380-x. Epub 2014 Oct 2. [PubMed:25270623 ]