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Aspartyl-Methionine

July 21, 2017
Common Name

Aspartyl-Methionine Description

Aspartyl-Methionine is a dipeptide composed of aspartate and methionine. 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 HMDB28759 (Aspartyl-Methionine)

Synonyms

Value Source Asp-metHMDB Aspartate methionine dipeptideHMDB Aspartate-methionine dipeptideHMDB AspartylmethionineHMDB D-m DipeptideHMDB DM DipeptideHMDB L-Aspartyl-L-methionineHMDB

Chemical Formlia

C9H16N2O5S Average Molecliar Weight

264.299 Monoisotopic Molecliar Weight

264.077992322 IUPAC Name

3-amino-3-{[1-carboxy-3-(methylslifanyl)propyl]carbamoyl}propanoic acid Traditional Name

3-amino-3-{[1-carboxy-3-(methylslifanyl)propyl]carbamoyl}propanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)

InChI Key

DYDKXJWQCIVTMR-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

  • Aspartic acid and derivatives
  • Methionine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Thia fatty acids
  • N-acyl amines
  • Dicarboxylic acids and derivatives
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Carboxylic acids
  • Dialkylthioethers
  • Organopnictogen compounds
  • Carbonyl compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives

    • Substituents

  • Alpha-dipeptide
  • Aspartic acid or derivatives
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Thioether
  • Dialkylthioether
  • Slifenyl compound
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Organoslifur compound
  • Amine
  • Primary amine
  • 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-3.48Extrapolated

    Predicted Properties

    Property Value Source Water Solubility5.58 mg/mLALOGPS logP-3ALOGPS logP-3.7ChemAxon logS-1.7ALOGPS pKa (Strongest Acidic)3.12ChemAxon pKa (Strongest Basic)8.53ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area129.72 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity60.92 m3·mol-1ChemAxon Polarizability25.71 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

    HMDB28759 Metagene Link

    HMDB28759 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: PD-1-IN-1

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

    PMID: 16785615

    Last updated on