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Record Information
Version3.6
Creation Date2006-08-13 05:33:39 UTC
Update Date2013-05-29 19:38:58 UTC
HMDB IDHMDB03831
Secondary Accession NumbersNone
Metabolite Identification
Common NameBeta-Tyrosine
DescriptionThe use of tyrosine kinase receptor inhibitors is increasingly becoming a valuable therapeutic alternative in tumors carrying activated tyrosine kinase receptors. GMR beta tyrosine residues are not necessary for activation of the JAK/STAT pathway, or for proliferation, viability, or adhesion signaling in Ba/F3 cells, although tyrosine residues significantly affect the magnitude of the response. (PMID:10372132 ).
Structure
Thumb
Synonyms
  1. 3-Amino-3-(4-hydroxyphenyl)propanoate
  2. 3-Amino-3-(4-hydroxyphenyl)propanoic acid
  3. beta-Tyrosine
Chemical FormulaC9H11NO3
Average Molecular Weight181.1885
Monoisotopic Molecular Weight181.073893223
IUPAC Name3-amino-3-(4-hydroxyphenyl)propanoic acid
Traditional Nameβ-tyrosine
CAS Registry NumberNot Available
SMILES
NC(CC(O)=O)C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChI KeyInChIKey=JYPHNHPXFNEZBR-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentBeta amino acids and derivatives
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • Beta amino acid or derivatives
  • Phenylpropylamine
  • Aralkylamine
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
Biofunction
  • Protein synthesis, amino acid biosynthesis
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility3.18 mg/mLALOGPS
logP-2.3ALOGPS
logP-1.7ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)3.57ChemAxon
pKa (Strongest Basic)10.14ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area83.55 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.97 m3·mol-1ChemAxon
Polarizability17.93 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraGC-MS
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue Location
  • Skeletal Muscle
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB023232
KNApSAcK IDNot Available
Chemspider ID389285
KEGG Compound IDC04368
BioCyc IDCPD-232
BiGG IDNot Available
Wikipedia LinkNot Available
NuGOwiki LinkHMDB03831
Metagene LinkHMDB03831
METLIN ID6984
PubChem Compound440311
PDB IDNot Available
ChEBI ID16939
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Bernard JR, Reeder DW, Herr HJ, Rivas DA, Yaspelkis BB 3rd: High-fat feeding effects on components of the CAP/Cbl signaling cascade in Sprague-Dawley rat skeletal muscle. Metabolism. 2006 Feb;55(2):203-12. [16423627 ]
  2. Okuda K, Foster R, Griffin JD: Signaling domains of the beta c chain of the GM-CSF/IL-3/IL-5 receptor. Ann N Y Acad Sci. 1999 Apr 30;872:305-12; discussion 312-3. [10372132 ]