Methyl (2s)-2-amino-4-methylsulfanylbutanoate (CED0194353)

Record Information
Version1.0
Creation Date2026-08-23 07:02:53 UTC
Update Date2026-08-23 07:02:53 UTC
Accession NumberCHEM228950
Identification
Common NameMethyl (2s)-2-amino-4-methylsulfanylbutanoate
ClassSmall Molecule
Description
Methyl (2s)-2-amino-4-methylsulfanylbutanoate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C6H13NO2S and an average molecular weight of 163.24 g/mol. The compound is associated with six recorded sources across various sectors. Within the category of food, food processing, and cookware, it is found in or released from the preparation of malt, the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer, as well as the treatment of hops. Additionally, it is linked to electrical and electronic equipment, specifically radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H13NO2S
Average Molecular Mass163.240 g/mol
Monoisotopic Mass163.067 g/mol
CAS Registry Number10332-17-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChI KeyUIHPNZDZCOEZEN-YFKPBYRVSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
8766.0Log mg/kg[4900:16000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureHistidine decarboxylaseP16453Rattus norvegicusPredicted (SEA)2.25763
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)1.16774
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)2.41333
Click to view 3D structureS-ribosylhomocysteine lyaseP45578Escherichia coli K-12Predicted (SEA)1.08989
Click to view 3D structureS-ribosylhomocysteine lyaseQ9Z5X1Vibrio campbelliiPredicted (SEA)1.08989
Click to view 3D structureGlutamyl-tRNA(Gln) amidotransferase subunit CP68890Streptococcus pyogenes serotype M1Predicted (SEA)0.622794
S-ribosylhomocysteine lyase structureClick to view 3D structureS-ribosylhomocysteine lyaseO34667Bacillus subtilis (strain 168)Predicted (SEA)1.40129
Click to view 3D structureSqualene synthetaseQ6IE76Bos taurusPredicted (SEA)67.0282
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)5.99439
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)5.0602
Click to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)17.1268
Click to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)14.2464
Click to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)5.83869
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)19.9294
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)33.7866
Click to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)5.99439
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)53.5603
Solute carrier family 15 member 2 structureClick to view 3D structureSolute carrier family 15 member 2Q16348HumansPredicted (SEA)75.7473
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)170.334
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)12.0666
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)142.698
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)4.5931
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)300.809
Arginase-2, mitochondrial structureClick to view 3D structureArginase-2, mitochondrialP78540HumansPredicted (SEA)5.91654
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)374.455
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available