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Histidinyl-Lysine

July 21, 2017
Common Name

Histidinyl-Lysine Description

Histidinyl-Lysine is a dipeptide composed of histidine 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 HMDB28890 (Histidinyl-Lysine)

Synonyms

Value Source H-K DipeptideHMDB His-lysHMDB Histidine lysine dipeptideHMDB Histidine-lysine dipeptideHMDB HistidinyllysineHMDB HK DipeptideHMDB L-Histidinyl-L-lysineHMDB

Chemical Formlia

C12H21N5O3 Average Molecliar Weight

283.3268 Monoisotopic Molecliar Weight

283.164439563 IUPAC Name

6-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanamido]hexanoic acid Traditional Name

6-amino-2-[2-amino-3-(3H-imidazol-4-yl)propanamido]hexanoic acid CAS Registry Number

Not Available SMILES

NCCCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C12H21N5O3/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)

InChI Key

CZVQSYNVUHAILZ-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

  • Histidine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Medium-chain fatty acids
  • Imidazolyl carboxylic acids and derivatives
  • Amino fatty acids
  • Aralkylamines
  • Heterocyclic fatty acids
  • Fatty amides
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Organic oxides
  • Monoalkylamines
  • Carbonyl compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Medium-chain fatty acid
  • Amino fatty acid
  • Heterocyclic fatty acid
  • Aralkylamine
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • Heteroaromatic compound
  • Imidazole
  • Azole
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Azacycle
  • Carboxylic acid
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic 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-4.4Extrapolated

    Predicted Properties

    Property Value Source Water Solubility6.91 mg/mLALOGPS logP-3ALOGPS logP-4.3ChemAxon logS-1.6ALOGPS pKa (Strongest Acidic)3.53ChemAxon pKa (Strongest Basic)10.21ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area147.12 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity72.67 m3·mol-1ChemAxon Polarizability30.01 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

    HMDB28890 Metagene Link

    HMDB28890 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Tenapanor

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Adam M, Pohunkova H: [Collagen – its use as a biomaterial in orthopedics.]. Acta Chir Orthop Traumatol Cech. 1992;59(6):368-72. [PubMed:20438697 ]

    PMID: 21183739

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