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Isoleucyl-Methionine

July 21, 2017
Common Name

Isoleucyl-Methionine Description

Isoleucyl-Methionine is a dipeptide composed of isoleucine 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 HMDB28913 (Isoleucyl-Methionine)

Synonyms

Value Source I-m dipeptideHMDB Ile-metHMDB IM dipeptideHMDB Isoleucine methionine dipeptideHMDB Isoleucine-methionine dipeptideHMDB IsoleucylmethionineHMDB L-Isoleucyl-L-methionineHMDB

Chemical Formlia

C11H22N2O3S Average Molecliar Weight

262.369 Monoisotopic Molecliar Weight

262.13511327 IUPAC Name

2-(2-amino-3-methylpentanamido)-4-(methylslifanyl)butanoic acid Traditional Name

2-(2-amino-3-methylpentanamido)-4-(methylslifanyl)butanoic acid CAS Registry Number

Not Available SMILES

CCC(C)C(N)C(=O)NC(CCSC)C(O)=O

InChI Identifier

InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)

InChI Key

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

    • Substituents

  • Alpha-dipeptide
  • Isoleucine or derivatives
  • Methionine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • N-acyl-amine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Dialkylthioether
  • Monocarboxylic acid or derivatives
  • Slifenyl compound
  • Thioether
  • Amine
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur 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-1.4Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.24 mg/mLALOGPS logP-0.39ALOGPS logP-1.4ChemAxon logS-2.3ALOGPS pKa (Strongest Acidic)3.98ChemAxon pKa (Strongest Basic)8.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area92.42 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity68.48 m3·mol-1ChemAxon Polarizability28.42 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

    HMDB28913 Metagene Link

    HMDB28913 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Org-26576

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

    PMID: 16631081

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