Selenomethionine (CED0002892)

Record Information
Version1.0
Creation Date2016-05-22 04:27:42 UTC
Update Date2026-04-14 18:08:56 UTC
SynCED IDCED0002892
Secondary Accession Numbers
  • CHEM017556
Identification
Common NameSelenomethionine
ClassSmall Molecule
Description
Selenomethionine is an organic compound with the formula C5H11NO2Se and an average molecular weight of 196.11 g/mol. Selenomethionine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is recorded as being found in or released from two sources: antennas in electrical and electronic equipment, and fencing in building and construction.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(+-)-SelenomethionineChEBI
Selenium methionineChEBI
Seleno-DL-methionineChEBI
(2S)-2-Amino-4-(methylseleno)butanoateHMDB
(2S)-2-Amino-4-(methylseleno)butanoic acidHMDB
(S)-2-Amino-4-(methylseleno)-butanoateHMDB
(S)-2-Amino-4-(methylseleno)-butanoic acidHMDB
(S)-2-Amino-4-(methylseleno)butanoateHMDB
(S)-2-Amino-4-(methylseleno)butanoic acidHMDB
(S)-2-Amino-4-(methylseleno)butyric acidHMDB
2-Amino-4-(methylseleno)butanoateHMDB
2-Amino-4-(methylseleno)butanoic acidHMDB
2-Amino-4-(methylselenyl)butyrateHMDB
2-Amino-4-(methylselenyl)butyric acidHMDB
DL-SelenomethionineHMDB
L(+)-SelenomethionineHMDB
L-2-Amino-4-(methylselenyl)-butyric acidHMDB
L-SelenomethionineHMDB
L-SelenomethioninumHMDB
MSEHMDB
Selenium-L-methionineHMDB
Seleno-D,L-methionineHMDB
Seleno-L-methionineHMDB
Selenomethionine se 75HMDB
SeMetHMDB
SethotopeHMDB
Selenomethionine hydrochloride, (S)-isomerHMDB
Selenomethionine, (S)-isomerHMDB
RadioselenomethionineHMDB
Selenomethionine, (+,-)-isomerHMDB
Selenomethionine, (R)-isomerHMDB
Se 75, selenomethionineHMDB
Chemical FormulaC5H11NO2Se
Average Molecular Mass196.110 g/mol
Monoisotopic Mass196.996 g/mol
CAS Registry Number1464-42-2
IUPAC Name2-amino-4-(methylselanyl)butanoic acid
Traditional Name(+,-)-selenomethionine
SMILESC[Se]CCC(N)C(O)=O
InChI IdentifierInChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChI KeyRJFAYQIBOAGBLC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Selenoether
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility109 g/LALOGPS
logP-2.5ALOGPS
logP-3.3ChemAxon
logS-0.25ALOGPS
pKa (Strongest Acidic)1.56ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity42.91 m³·mol⁻¹ChemAxon
Polarizability14.92 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-006x-9300000000-ad31be05ded6d3690473Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00dl-9120000000-b81ef03513ebcd2db684Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f89-0900000000-4949659ad5c41236a070Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9500000000-dbac3b4e6e034ebd3855Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9200000000-d58c983bc06091b8dd74Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kai-2900000000-86628c3188ed75c0a1e6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6t-1900000000-185fb006e1bba095a984Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udj-1900000000-d4cebd865ad12ea7d7a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-8900000000-797a41add1f29f10c4ddNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-7900000000-60bc9ba77f492e1b35e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f95-5900000000-7b650680f083adef2064Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-9200000000-027a3e15d6897c294431Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2408.0 Log mg/kg [1400:4300]RatLD50oralpredictedNot AvailableNot Available
7.0 mg/L MouseLOELoralexperimentalNot AvailableECOTOX - EPA ORD
7.0 mg/L MouseNOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
DNA DamageHas Therapeutic Effect OnNot AvailableNot AvailablePMC6485038
Proteotoxic StressAssociated With?Not AvailableNot AvailablePMC5355996
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000496Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.Building & ConstructionPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00778SoybeansAgriculture & land managementPMC5799165
CEDs01143DietFood, food processing & cookwarePMC6017489
CEDs01148MilkFood, food processing & cookwarePMC11015381
CEDs01157FoodsFood, food processing & cookwarePMC10535745
CEDs01161Cereal GrainsFood, food processing & cookwarePMC5799165
CEDs01429Soy SauceFood, food processing & cookwarePMC12607590
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.5
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.441
Applicability Domain
0.5
Statistical Significance
1.00e-04
Supporting Reference Compounds
24
E-value
0.778492
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.44
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Glutamine synthetase structureClick to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.424
Applicability Domain
0.424
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)
Prediction Confidence Score
0.424
Applicability Domain
0.424
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
0.5
Statistical Significance
2.90e-04
Supporting Reference Compounds
38
E-value
2.25763
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
0.5
Statistical Significance
4.10e-04
Supporting Reference Compounds
53
E-value
3.19182
Arginase structureClick to view 3D structureArginaseQ8I384Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.419
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.5
Statistical Significance
1.80e-04
Supporting Reference Compounds
39
E-value
1.40129
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.5
Statistical Significance
1.80e-04
Supporting Reference Compounds
13
E-value
1.40129
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
28
E-value
0.934191
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.5
Statistical Significance
8.50e-04
Supporting Reference Compounds
69
E-value
6.61718
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.5
Statistical Significance
1.30e-04
Supporting Reference Compounds
31
E-value
1.01204
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.5
Statistical Significance
2.10e-04
Supporting Reference Compounds
45
E-value
1.63483
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.5
Statistical Significance
2.00e-04
Supporting Reference Compounds
26
E-value
1.55698
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.5
Statistical Significance
1.60e-04
Supporting Reference Compounds
18
E-value
1.24559
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.5
Statistical Significance
2.60e-04
Supporting Reference Compounds
37
E-value
2.02408
Click to view 3D structureGlutamate--cysteine ligase catalytic subunitP48506HumansPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.389
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.5
Statistical Significance
2.30e-04
Supporting Reference Compounds
48
E-value
1.79053
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
25
E-value
0.934191
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.5
Statistical Significance
9.80e-04
Supporting Reference Compounds
85
E-value
7.62922
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.377
Applicability Domain
0.5
Statistical Significance
6.00e-05
Supporting Reference Compounds
30
E-value
0.467095
Arginase-2, mitochondrial structureClick to view 3D structureArginase-2, mitochondrialP78540HumansPredicted (SEA)
Prediction Confidence Score
0.377
Applicability Domain
0.419
Statistical Significance
7.00e-05
Supporting Reference Compounds
7
E-value
0.544945
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.5
Statistical Significance
5.00e-05
Supporting Reference Compounds
34
E-value
0.389246
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.5
Statistical Significance
3.90e-04
Supporting Reference Compounds
37
E-value
3.03612
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0003966
FooDB IDFDB012370
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG ID45598
BioCyc IDSELENOMETHIONINE
METLIN ID6993
PDB IDNot Available
Wikipedia LinkSelenomethionine
Chemspider ID14375
ChEBI ID27585
PubChem Compound ID15103
Kegg Compound IDC05335
YMDB IDYMDB16175
ECMDB IDECMDB03966
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available