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Hydroxyprolyl-Arginine

July 21, 2017
Common Name

Hydroxyprolyl-Arginine Description

Hydroxyprolyl-Arginine is a dipeptide composed of hydroxyproline 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

MOLSDFPDBSMILESInChI

Structure for HMDB28857 (Hydroxyprolyl-Arginine)

Synonyms

Value Source Hydroxyproline arginine dipeptideHMDB HP-R DipeptideHMDB HPR DipeptideHMDB hpro-ArgHMDB Hydroxyproline-arginine dipeptideHMDB HydroxyprolylarginineHMDB L-Hydroxyprolyl-L-arginineHMDB

Chemical Formlia

C11H21N5O4 Average Molecliar Weight

287.3155 Monoisotopic Molecliar Weight

287.159354185 IUPAC Name

5-carbamimidamido-2-[(4-hydroxypyrrolidin-2-yl)formamido]pentanoic acid Traditional Name

5-carbamimidamido-2-[(4-hydroxypyrrolidin-2-yl)formamido]pentanoic acid CAS Registry Number

Not Available SMILES

NC(=N)NCCCC(NC(=O)C1CC(O)CN1)C(O)=O

InChI Identifier

InChI=1S/C11H21N5O4/c12-11(13)14-3-1-2-7(10(19)20)16-9(18)8-4-6(17)5-15-8/h6-8,15,17H,1-5H2,(H,16,18)(H,19,20)(H4,12,13,14)

InChI Key

AZDCVMCXGLWYHN-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

  • Arginine and derivatives
  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Heterocyclic fatty acids
  • Hydroxy fatty acids
  • Guanidines
  • Secondary carboxylic acid amides
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Carboximidamides
  • Carboxylic acids
  • Dialkylamines
  • Azacyclic compounds
  • Monocarboxylic acids and derivatives
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Imines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Arginine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine carboxylic acid or derivatives
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Amino acid
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Amino acid or derivatives
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Organopnictogen compound
  • Imine
  • Amine
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound

    • Molecliar Framework

    Aliphatic 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-4.55Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.53 mg/mLALOGPS logP-3.3ALOGPS logP-4.4ChemAxon logS-2.7ALOGPS pKa (Strongest Acidic)3.53ChemAxon pKa (Strongest Basic)12.05ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area160.56 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity80.11 m3·mol-1ChemAxon Polarizability29.07 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

    HMDB28857 Metagene Link

    HMDB28857 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: BAY-1143572

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

    PMID: 15306203

    Last updated on