Canmetcon
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Identification
YMDB IDYMDB16177
NameSe-Methylselenocysteine
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • L-Methylselenocysteine
  • Methyl-L-selenocysteine
  • Methylselenocysteine
  • Se-methyl-seleno-L-cysteine
  • Se-methyl-selenocysteine
  • Selenium methyl cysteine
  • Selenium-methylselenocystine
  • Selenohomocysteine
  • Selenomethylselenocysteine
  • 3-(Methylseleno)-L-alanine
  • Se-methyl-L-selenocysteine
  • L-Methyl-selenocysteine
  • Methyl selenocysteine
  • Selenomethylselenocysteine, (D,L)-isomer
  • Selenomethylselenocysteine, (L)-isomer, 75Se-labeled
  • SeMCys
  • Selenomethylselenocysteine, (L)-isomer
CAS numberNot Available
WeightAverage: 182.08
Monoisotopic: 182.979850365
InChI KeyXDSSPSLGNGIIHP-VKHMYHEASA-N
InChIInChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
IUPAC Name(2R)-2-amino-3-(methylselanyl)propanoic acid
Traditional IUPAC Namemethylselenocysteine
Chemical FormulaC4H9NO2Se
SMILESC[Se]C[C@H](N)C(O)=O
Chemical Taxonomy
Description belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Selenoether
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility156 g/LALOGPS
logP-2.8ALOGPS
logP-3.5ChemAxon
logS-0.07ALOGPS
pKa (Strongest Acidic)1.46ChemAxon
pKa (Strongest Basic)8.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity38.2 m³·mol⁻¹ChemAxon
Polarizability12.89 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Selenocompound metabolismPW002472 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Selenocompound metabolismec00450 Map00450
SMPDB Reactions
Se-Methylselenocysteine + watermethylselenol + Ammonia + Pyruvic acid
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID27812
HMDB IDHMDB0004113
Pubchem Compound ID147004
Kegg IDC05689
ChemSpider ID129633
FOODB IDFDB012599
Wikipedia IDMethylselenocysteine
BioCyc IDNot Available

Enzymes

General function:
Involved in pyridoxal phosphate binding
Specific function:
L-cystathionine + H(2)O = L-cysteine + NH(3) + 2-oxobutanoate
Gene Name:
CYS3
Uniprot ID:
P31373
Molecular weight:
42541.69922
Reactions
L-cystathionine + H(2)O → L-cysteine + NH(3) + 2-oxobutanoate.