Canmetcon
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Identification
YMDB IDYMDB16184
NameSelenocystathionine
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • 2-Amino-4-[(2-amino-2-carboxyethyl)selanyl]butyric acid
  • Selenocystathionines
  • 2-Amino-4-[(2-amino-2-carboxyethyl)selanyl]butyrate
  • 2-Amino-4-((2-amino-2-carboxyethyl)seleno)-butanoate
  • 2-Amino-4-((2-amino-2-carboxyethyl)seleno)-butanoic acid
  • 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoate
  • 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoic acid
  • SeCysta
CAS numberNot Available
WeightAverage: 269.16
Monoisotopic: 270.011878774
InChI KeyZNWYDQPOUQRDLY-UHFFFAOYSA-N
InChIInChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
IUPAC Name2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid
Traditional IUPAC Nameselenocystathionine
Chemical FormulaC7H14N2O4Se
SMILESNC(CC[Se]CC(N)C(O)=O)C(O)=O
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
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Selenoether
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • 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 Solubility86.8 g/LALOGPS
logP-4ALOGPS
logP-7.4ChemAxon
logS-0.49ALOGPS
pKa (Strongest Acidic)1.2ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area126.64 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity56.89 m³·mol⁻¹ChemAxon
Polarizability21.05 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
Selenocystathionine + waterSelenohomocysteine + Ammonia + Pyruvic acid
Selenocystathionine + O-Succinyl-L-homoserineSelenocysteine + Succinic acid
Selenocysteine + AcetylhomoserineSelenocystathionine + Acetic 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 ID26630
HMDB IDHMDB0006343
Pubchem Compound ID98223
Kegg IDC05699
ChemSpider ID88693
FOODB IDFDB023895
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in pyridoxal phosphate binding
Specific function:
O(4)-succinyl-L-homoserine + L-cysteine = L- cystathionine + succinate
Gene Name:
STR2
Uniprot ID:
P47164
Molecular weight:
72349.89844
Reactions
O(4)-succinyl-L-homoserine + L-cysteine → L-cystathionine + succinate.
General function:
Involved in pyridoxal phosphate binding
Specific function:
L-cystathionine + H(2)O = L-homocysteine + NH(3) + pyruvate
Gene Name:
STR3
Uniprot ID:
P53101
Molecular weight:
51828.0
Reactions
L-cystathionine + H(2)O → L-homocysteine + NH(3) + pyruvate.
General function:
Involved in pyridoxal phosphate binding
Specific function:
L-cystathionine + H(2)O = L-homocysteine + NH(3) + pyruvate
Gene Name:
IRC7
Uniprot ID:
P43623
Molecular weight:
36971.10156
Reactions
L-cystathionine + H(2)O → L-homocysteine + NH(3) + pyruvate.