Canmetcon
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Identification
YMDB IDYMDB16312
Namemethylselenol
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • Methaneselenol
CAS numberNot Available
WeightAverage: 95.0
Monoisotopic: 95.947821956
InChI KeyAPKHDKJWSHYLEU-UHFFFAOYSA-N
InChIInChI=1S/CH4Se/c1-2/h2H,1H3
IUPAC Namemethaneselenol
Traditional IUPAC Namemethaneselenol
Chemical FormulaCH4Se
SMILESC[SeH]
Chemical Taxonomy
Description belongs to the class of organic compounds known as selenols. These are organic compounds that contains the functional group with the connectivity R-Se-H.
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrganometalloid compounds
Sub ClassOrganoselenium compounds
Direct ParentSelenols
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Selenol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility126 g/LALOGPS
logP-0.82ALOGPS
logP0.064ChemAxon
logS0.12ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.46 m³·mol⁻¹ChemAxon
Polarizability4.76 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
Selenomethionine + watermethylselenol + Ammonia + 2-Ketobutyric acid
Se-Methylselenocysteine + watermethylselenol + Ammonia + Pyruvic acid
NADPH + hydron + Methylselenic acidmethylselenol + NADP + water
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID64685
HMDB IDHMDB0060488
Pubchem Compound ID440764
Kegg IDC05703
ChemSpider IDNot Available
FOODB IDNot Available
Wikipedia IDSelenol
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.
General function:
Involved in oxidoreductase activity
Specific function:
Acts on thioredoxins 1 and 2
Gene Name:
TRR1
Uniprot ID:
P29509
Molecular weight:
34237.80078
Reactions
Thioredoxin + NADP(+) → thioredoxin disulfide + NADPH.
General function:
Involved in oxidoreductase activity
Specific function:
Acts on mitochondrial thioredoxin 3. Implicated in the defense against oxidative stress
Gene Name:
TRR2
Uniprot ID:
P38816
Molecular weight:
37087.0
Reactions
Thioredoxin + NADP(+) → thioredoxin disulfide + NADPH.