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Methionyl-Tryptophan

July 21, 2017
Common Name

Methionyl-Tryptophan Description

Methionyl-Tryptophan is a dipeptide composed of methionine and tryptophan. 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 HMDB28984 (Methionyl-Tryptophan)

Synonyms

Value Source L-Methionyl-L-tryptophanHMDB m-W DipeptideHMDB Met-TRPHMDB Methionine tryptophan dipeptideHMDB Methionine-tryptophan dipeptideHMDB MethionyltryptophanHMDB MW DipeptideHMDB

Chemical Formlia

C16H21N3O3S Average Molecliar Weight

335.421 Monoisotopic Molecliar Weight

335.130362243 IUPAC Name

2-[2-amino-4-(methylslifanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid Traditional Name

met-trp CAS Registry Number

Not Available SMILES

CSCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)

InChI Key

XYVRXLDSCKEYES-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
  • Indolyl carboxylic acids and derivatives
  • 3-alkylindoles
  • Benzenoids
  • Substituted pyrroles
  • N-acyl amines
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Monocarboxylic acids and derivatives
  • Dialkylthioethers
  • Carboxylic acids
  • Azacyclic compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Organic oxides
  • Organopnictogen compounds
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Indolyl carboxylic acid derivative
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Fatty amide
  • N-acyl-amine
  • Substituted pyrrole
  • Benzenoid
  • Fatty acyl
  • Pyrrole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Organoheterocyclic compound
  • Dialkylthioether
  • Slifenyl compound
  • Azacycle
  • Thioether
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary aliphatic amine
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Aromatic heteropolycyclic compound

    • Molecliar Framework

    Aromatic heteropolycyclic 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-0.97Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.15 mg/mLALOGPS logP-0.34ALOGPS logP-0.97ChemAxon logS-3.4ALOGPS pKa (Strongest Acidic)3.88ChemAxon pKa (Strongest Basic)8.42ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area108.21 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity90.59 m3·mol-1ChemAxon Polarizability35.87 Å3ChemAxon Number of Rings2ChemAxon 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

    HMDB28984 Metagene Link

    HMDB28984 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Emixustat

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

    PMID: 14724223

    Last updated on