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Methionyl-Threonine

July 21, 2017
Common Name

Methionyl-Threonine Description

Methionyl-Threonine is a dipeptide composed of methionine and threonine. 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 HMDB28983 (Methionyl-Threonine)

Synonyms

Value Source L-Methionyl-L-threonineHMDB m-T DipeptideHMDB Met-THRHMDB Methionine threonine dipeptideHMDB Methionine-threonine dipeptideHMDB MethionylthreonineHMDB MT DipeptideHMDB

Chemical Formlia

C9H18N2O4S Average Molecliar Weight

250.315 Monoisotopic Molecliar Weight

250.098727764 IUPAC Name

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

2-[2-amino-4-(methylslifanyl)butanamido]-3-hydroxybutanoic acid CAS Registry Number

Not Available SMILES

CSCCC(N)C(=O)NC(C(C)O)C(O)=O

InChI Identifier

InChI=1S/C9H18N2O4S/c1-5(12)7(9(14)15)11-8(13)6(10)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)

InChI Key

KAKJTZWHIUWTTD-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

  • Methionine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Short-chain hydroxy acids and derivatives
  • Beta hydroxy acids and derivatives
  • N-acyl amines
  • Fatty acids and conjugates
  • Secondary carboxylic acid amides
  • Secondary alcohols
  • Amino acids
  • Slifenyl compounds
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Dialkylthioethers
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • Hydroxy acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Dialkylthioether
  • Slifenyl compound
  • Monocarboxylic acid or derivatives
  • Thioether
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organoslifur compound
  • Organonitrogen compound
  • Organooxygen compound
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic 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-3.36Extrapolated

    Predicted Properties

    Property Value Source Water Solubility17.1 mg/mLALOGPS logP-1.7ALOGPS logP-3.4ChemAxon logS-1.2ALOGPS pKa (Strongest Acidic)3.67ChemAxon pKa (Strongest Basic)8.42ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area112.65 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity60.85 m3·mol-1ChemAxon Polarizability25.57 Å3ChemAxon Number of Rings0ChemAxon 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

    HMDB28983 Metagene Link

    HMDB28983 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: BAY1217389

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

    PMID: 7932524

    Last updated on