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Methionyl-Tyrosine

July 21, 2017
Common Name

Methionyl-Tyrosine Description

Methionyl-Tyrosine is a dipeptide composed of methionine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB28985 (Methionyl-Tyrosine)

Synonyms

Value Source L-Methionyl-L-tyrosineHMDB m-Y dipeptideHMDB Met-tyrHMDB Methionine tyrosine dipeptideHMDB Methionine-tyrosine dipeptideHMDB MethionyltyrosineHMDB MY dipeptideHMDB

Chemical Formlia

C14H20N2O4S Average Molecliar Weight

312.385 Monoisotopic Molecliar Weight

312.114377828 IUPAC Name

2-[2-amino-4-(methylslifanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid Traditional Name

met-tyr CAS Registry Number

Not Available SMILES

CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)

InChI Key

PESQCPHRXOFIPX-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Dipeptides Alternative Parents

  • Tyrosine and derivatives
  • Phenylalanine and derivatives
  • Methionine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Phenylpropanoic acids
  • Amphetamines and derivatives
  • 1-hydroxy-2-unsubstituted benzenoids
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Dialkylthioethers
  • Carbonyl compounds
  • Organic oxides
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Fatty acyl
  • Monocyclic benzene moiety
  • Fatty amide
  • N-acyl-amine
  • Benzenoid
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Dialkylthioether
  • Slifenyl compound
  • Thioether
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organopnictogen compound
  • Primary aliphatic amine
  • Amine
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organoslifur compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound

    • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-1.38Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.25 mg/mLALOGPS logP-0.56ALOGPS logP-1.4ChemAxon logS-3.1ALOGPS pKa (Strongest Acidic)3.56ChemAxon pKa (Strongest Basic)8.38ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area112.65 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity81.48 m3·mol-1ChemAxon Polarizability32.87 Å3ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB28985 Metagene Link

    HMDB28985 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: MGL-3196

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    PMID: 10428423

    Last updated on