Posted inUncategorized

Lysyl-Asparagine

July 21, 2017
Common Name

Lysyl-Asparagine Description

Lysyl-Asparagine is a dipeptide composed of lysine and asparagine. 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 HMDB28946 (Lysyl-Asparagine)

Synonyms

Value Source K-N DipeptideHMDB KN DipeptideHMDB L-Lysyl-L-asparagineHMDB Lys-asnHMDB Lysine asparagine dipeptideHMDB Lysine-asparagine dipeptideHMDB LysylasparagineHMDB

Chemical Formlia

C10H20N4O4 Average Molecliar Weight

260.2902 Monoisotopic Molecliar Weight

260.148455148 IUPAC Name

3-carbamoyl-2-(2,6-diaminohexanamido)propanoic acid Traditional Name

3-carbamoyl-2-(2,6-diaminohexanamido)propanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)

InChI Key

JPNRPAJITHRXRH-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

  • Asparagine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • N-acyl amines
  • Fatty acids and conjugates
  • Secondary carboxylic acid amides
  • Primary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Asparagine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty amide
  • Fatty acid
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen 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-4.99Extrapolated

    Predicted Properties

    Property Value Source Water Solubility4.26 mg/mLALOGPS logP-3.5ALOGPS logP-5.1ChemAxon logS-1.8ALOGPS pKa (Strongest Acidic)3.5ChemAxon pKa (Strongest Basic)10.21ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area161.53 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity62.96 m3·mol-1ChemAxon Polarizability26.94 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

    HMDB28946 Metagene Link

    HMDB28946 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Mequitazine

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Popova TV, Reinbolt J, Ehresmann B, Shakirov MM, Serebriakova MV, Gerassimova YV, Knorre DG, Godovikova TS: Why do p-nitro-substituted aryl azides provide unintended dark reactions with proteins? J Photochem Photobiol B. 2010 Jul 2;100(1):19-29. doi: 10.1016/j.jphotobiol.2010.04.004. Epub 2010 Apr 14. [PubMed:20570168 ]

    PMID: 9154322

    Last updated on