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Human Metabolome Database Version 3.5

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Showing metabocard for Beta-Tyrosine (HMDB03831)

Record Information
Version 3.5
Creation Date 2006-08-12 23:33:39 -0600
Update Date 2013-02-08 17:12:46 -0700
HMDB ID HMDB03831
Secondary Accession Numbers None
Metabolite Identification
Common Name Beta-Tyrosine
Description The 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 Link_out).
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 3-Amino-3-(4-hydroxyphenyl)propanoate
  2. 3-Amino-3-(4-hydroxyphenyl)propanoic acid
  3. beta-Tyrosine
Chemical Formula C9H11NO3
Average Molecular Weight 181.1885
Monoisotopic Molecular Weight 181.073893223
IUPAC Name 3-amino-3-(4-hydroxyphenyl)propanoic acid
Traditional IUPAC Name 3-amino-3-(4-hydroxyphenyl)propanoic acid
CAS Registry Number Not 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 Key JYPHNHPXFNEZBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Amino Acids, Peptides, and Analogues
Class Amino Acids and Derivatives
Sub Class Beta Amino Acids and Derivatives
Other Descriptors
  • Aromatic Homomonocyclic Compounds
  • amino acid zwitterion(ChEBI)
Substituents
  • 1,3 Aminoalcohol
  • Carboxylic Acid
  • Phenol
  • Phenol Derivative
  • Phenylmethylamine
  • Primary Aliphatic Amine (Alkylamine)
Direct Parent Beta Amino Acids and Derivatives
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction
  • Protein synthesis, amino acid biosynthesis
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 3.18 g/L ALOGPS
LogP -2.33 ALOGPS
LogP -1.7 ChemAxon
LogS -1.76 ALOGPS
pKa (strongest acidic) 3.57 ChemAxon
pKa (strongest basic) 10.14 ChemAxon
Hydrogen Acceptor Count 4 ChemAxon
Hydrogen Donor Count 3 ChemAxon
Polar Surface Area 83.55 A2 ChemAxon
Rotatable Bond Count 3 ChemAxon
Refractivity 46.97 ChemAxon
Polarizability 17.93 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
MS/MS Spectrum GC-MS
MS/MS Spectrum GC-MS
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location
  • Skeletal Muscle
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB023232
KNApSAcK ID Not Available
Chemspider ID 389285 Link_out
KEGG Compound ID C04368 Link_out
BioCyc ID CPD-232 Link_out
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB03831 Link_out
Metagene Link HMDB03831 Link_out
METLIN ID 6984 Link_out
PubChem Compound 440311 Link_out
PDB ID Not Available
ChEBI ID 16939 Link_out
References
Synthesis Reference Not 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. Pubmed: 16423627 Link_out