Posted inUncategorized

Lysyl-Aspartate

July 21, 2017
Common Name

Lysyl-Aspartate Description

Lysyl-Aspartate is a dipeptide composed of lysine and aspartate. 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 HMDB28947 (Lysyl-Aspartate)

Synonyms

Value Source K-D DipeptideHMDB KD DipeptideHMDB L-Lysyl-L-aspartateHMDB Lys-aspHMDB Lysine aspartate dipeptideHMDB Lysine-aspartate dipeptideHMDB LysylaspartateHMDB Lysyl aspartic acidMeSH

Chemical Formlia

C10H19N3O5 Average Molecliar Weight

261.275 Monoisotopic Molecliar Weight

261.132470733 IUPAC Name

2-(2,6-diaminohexanamido)butanedioic acid Traditional Name

2-(2,6-diaminohexanamido)butanedioic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)

InChI Key

CIOWSLJGLSUOME-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

  • Aspartic acid and derivatives
  • N-acyl-alpha amino acids
  • Acyl homoserines
  • Alpha amino acid amides
  • N-acyl amines
  • Fatty acids and conjugates
  • Dicarboxylic acids and derivatives
  • Secondary carboxylic acid amides
  • Amino acids
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Aspartic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Acyl-homoserine
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Amino acid
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • 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-6.42Extrapolated

    Predicted Properties

    Property Value Source Water Solubility4.79 mg/mLALOGPS logP-4ALOGPS logP-6.4ChemAxon logS-1.7ALOGPS pKa (Strongest Acidic)3.34ChemAxon pKa (Strongest Basic)10.21ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area155.74 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity61.14 m3·mol-1ChemAxon Polarizability26.35 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

    HMDB28947 Metagene Link

    HMDB28947 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: TB500-2

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Belokrylov GA, Popova OYa, Sorochinskaya EI: Immuno-, phagocytosis-modulating and antitoxic properties of dipeptides are defined by the activity of their constituent amino acids. Int J Immunopharmacol. 1999 Dec;21(12):879-83. [PubMed:10606007 ]
    2. Belokrylov GA, Derevnina OY, Molchanova IV, Sorochinskaya EI: Immuno-, phagocytosis-modulating, and antitoxic properties of amino acids and peptide preparations. Drug Dev Ind Pharm. 1998 Feb;24(2):115-27. [PubMed:15605441 ]
    3. Kim HS, Moon J, Kim KS, Choi MM, Lee JE, Heo Y, Cho DH, Jang DO, Park YS: Gene-transferring efficiencies of novel diamino cationic lipids with varied hydrocarbon chains. Bioconjug Chem. 2004 Sep-Oct;15(5):1095-101. [PubMed:15366965 ]

    PMID: 9225275

    Last updated on