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Aspartyl-Arginine

July 21, 2017
Common Name

Aspartyl-Arginine Description

Aspartyl-Arginine is a dipeptide composed of aspartate and arginine. 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 HMDB28747 (Aspartyl-Arginine)

Synonyms

Value Source Asp-argHMDB Aspartate arginine dipeptideHMDB Aspartate-arginine dipeptideHMDB AspartylarginineHMDB D-R DipeptideHMDB DR DipeptideHMDB L-Aspartyl-L-arginineHMDB

Chemical Formlia

C10H19N5O5 Average Molecliar Weight

289.2884 Monoisotopic Molecliar Weight

289.138618743 IUPAC Name

2-(2-amino-3-carboxypropanamido)-5-carbamimidamidopentanoic acid Traditional Name

2-(2-amino-3-carboxypropanamido)-5-carbamimidamidopentanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C10H19N5O5/c11-5(4-7(16)17)8(18)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)

InChI Key

PSZNHSNIGMJYOZ-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
  • Alpha amino acid amides
  • Dicarboxylic acids and derivatives
  • Fatty acids and conjugates
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Guanidines
  • Carboxylic acids
  • Carboximidamides
  • Propargyl-type 1,3-dipolar organic compounds
  • Organic oxides
  • Organopnictogen compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Aspartic acid 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
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Guanidine
  • Amino acid or derivatives
  • Amino acid
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organic 1,3-dipolar compound
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • 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-6.53Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.6 mg/mLALOGPS logP-3.7ALOGPS logP-6.6ChemAxon logS-2.7ALOGPS pKa (Strongest Acidic)3.09ChemAxon pKa (Strongest Basic)12.08ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count9ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area191.62 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity77.26 m3·mol-1ChemAxon Polarizability28.41 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

    HMDB28747 Metagene Link

    HMDB28747 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: IQ-1

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    PMID: 23587879

    Last updated on