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Threoninyl-Arginine

July 21, 2017
Common Name

Threoninyl-Arginine Description

Threoninyl-Arginine is a dipeptide composed of threonine 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 HMDB29055 (Threoninyl-Arginine)

Synonyms

Value Source L-Threoninyl-L-arginineHMDB T-R DipeptideHMDB THR-ArgHMDB Threonine arginine dipeptideHMDB Threonine-arginine dipeptideHMDB ThreoninylarginineHMDB TR DipeptideHMDB

Chemical Formlia

C10H21N5O4 Average Molecliar Weight

275.3048 Monoisotopic Molecliar Weight

275.159354185 IUPAC Name

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

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

Not Available SMILES

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

InChI Identifier

InChI=1S/C10H21N5O4/c1-5(16)7(11)8(17)15-6(9(18)19)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)

InChI Key

HYLXOQURIOCKIH-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

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

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Guanidine
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid
  • Organic 1,3-dipolar compound
  • Monocarboxylic acid or derivatives
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Organooxygen 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-4.31Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.05 mg/mLALOGPS logP-3.6ALOGPS logP-4.3ChemAxon logS-2.4ALOGPS pKa (Strongest Acidic)3.59ChemAxon pKa (Strongest Basic)12.03ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area174.55 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity77.18 m3·mol-1ChemAxon Polarizability28.09 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

    HMDB29055 Metagene Link

    HMDB29055 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: TGR-1202 (R-enantiomer)

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

    PMID: 12225700

    Last updated on