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Leucyl-Lysine

July 21, 2017
Common Name

Leucyl-Lysine Description

Leucyl-Lysine is a dipeptide composed of leucine and lysine. 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 HMDB28934 (Leucyl-Lysine)

Synonyms

Value Source L-K DipeptideHMDB L-Leucyl-L-lysineHMDB Leu-lysHMDB Leucine lysine dipeptideHMDB Leucine-lysine dipeptideHMDB LeucyllysineHMDB LK DipeptideHMDB L-Leucyl-lysineMeSH

Chemical Formlia

C12H25N3O3 Average Molecliar Weight

259.3452 Monoisotopic Molecliar Weight

259.189591681 IUPAC Name

6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid Traditional Name

6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)

InChI Key

OTXBNHIUIHNGAO-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

  • Leucine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Medium-chain fatty acids
  • Branched fatty acids
  • Amino fatty acids
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Monoalkylamines
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Organic oxides

    • Substituents

  • Alpha-dipeptide
  • Leucine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Branched fatty acid
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary aliphatic amine
  • Amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organic oxygen compound
  • Organic nitrogen 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-2.38Extrapolated

    Predicted Properties

    Property Value Source Water Solubility4.22 mg/mLALOGPS logP-2ALOGPS logP-2.4ChemAxon logS-1.8ALOGPS pKa (Strongest Acidic)4ChemAxon pKa (Strongest Basic)10.21ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area118.44 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity68.78 m3·mol-1ChemAxon Polarizability29.29 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

    HMDB28934 Metagene Link

    HMDB28934 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: MRT68921

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Kuby SA, Palmieri RH, Frischat A, Fischer AH, Wu LH, Maland L, Manship M: Studies on adenosine triphosphate transphosphorylases. Amino acid sequence of rabbit muscle ATP-AMP transphosphorylase. Biochemistry. 1984 May 22;23(11):2393-9. [PubMed:6089869 ]

    PMID: 10856450

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