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Prolyl-Lysine

July 21, 2017
Common Name

Prolyl-Lysine Description

Prolyl-Lysine is a dipeptide composed of proline 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 HMDB29022 (Prolyl-Lysine)

Synonyms

Value Source L-Prolyl-L-lysineHMDB P-K DipeptideHMDB PK DipeptideHMDB pro-LysHMDB Proline lysine dipeptideHMDB Proline-lysine dipeptideHMDB ProlyllysineHMDB

Chemical Formlia

C11H21N3O3 Average Molecliar Weight

243.3027 Monoisotopic Molecliar Weight

243.158291553 IUPAC Name

6-amino-2-(pyrrolidin-2-ylformamido)hexanoic acid Traditional Name

6-amino-2-(pyrrolidin-2-ylformamido)hexanoic acid CAS Registry Number

Not Available SMILES

NCCCCC(NC(=O)C1CCCN1)C(O)=O

InChI Identifier

InChI=1S/C11H21N3O3/c12-6-2-1-4-9(11(16)17)14-10(15)8-5-3-7-13-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)

InChI Key

RVQDZELMXZRSSI-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

  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Medium-chain fatty acids
  • Amino fatty acids
  • Heterocyclic fatty acids
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Dialkylamines
  • Carboxylic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Medium-chain fatty acid
  • Amino fatty acid
  • Heterocyclic fatty acid
  • Fatty acid
  • Fatty acyl
  • Pyrrolidine
  • Amino acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Secondary amine
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Aliphatic heteromonocyclic compound

    • Molecliar Framework

    Aliphatic heteromonocyclic 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 Solubility6.53 mg/mLALOGPS logP-2.5ALOGPS logP-3.3ChemAxon logS-1.6ALOGPS pKa (Strongest Acidic)3.82ChemAxon pKa (Strongest Basic)10.35ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area104.45 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity62.67 m3·mol-1ChemAxon Polarizability26.52 Å3ChemAxon Number of Rings1ChemAxon 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

    HMDB29022 Metagene Link

    HMDB29022 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: TAPI-2

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Chang JY, Alkan SS, Hilschmann N, Braun DG: Thrombin specificity. Selective cleavage of antibody light chains at the joints of variable with joining regions and joining with constant regions. Eur J Biochem. 1985 Sep 2;151(2):225-30. [PubMed:3928376 ]

    PMID: 11885967

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