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Hydroxyprolyl-Hydroxyproline

July 21, 2017
Common Name

Hydroxyprolyl-Hydroxyproline Description

Hydroxyprolyl-Hydroxyproline is a dipeptied compoosed of two hydroxyproline residues. 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 HMDB28864 (Hydroxyprolyl-Hydroxyproline)

Synonyms

Value Source Hydroxyproline hydroxyproline dipeptideHMDB HP-HP DipeptideHMDB HPHP DipeptideHMDB hpro-HProHMDB Hydroxyproline-hydroxyproline dipeptideHMDB HydroxyprolylhydroxyprolineHMDB L-Hydroxyprolyl-L-hydroxyprolineHMDB

Chemical Formlia

C10H16N2O5 Average Molecliar Weight

244.2444 Monoisotopic Molecliar Weight

244.105921632 IUPAC Name

4-hydroxy-1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name

4-hydroxy-1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Registry Number

Not Available SMILES

OC1CNC(C1)C(=O)N1CC(O)CC1C(O)=O

InChI Identifier

InChI=1S/C10H16N2O5/c13-5-1-7(11-3-5)9(15)12-4-6(14)2-8(12)10(16)17/h5-8,11,13-14H,1-4H2,(H,16,17)

InChI Key

HXWNRESJYUCPRA-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
  • Proline and derivatives
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Pyrrolidine carboxylic acids
  • N-acylpyrrolidines
  • Tertiary carboxylic acid amides
  • 1,2-aminoalcohols
  • Amino acids
  • Secondary alcohols
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary alcohol
  • Secondary amine
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Amine
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen 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-5.13Extrapolated

    Predicted Properties

    Property Value Source Water Solubility124.0 mg/mLALOGPS logP-3.3ALOGPS logP-5.1ChemAxon logS-0.29ALOGPS pKa (Strongest Acidic)3.4ChemAxon pKa (Strongest Basic)9.14ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area110.1 Å2ChemAxon Rotatable Bond Count2ChemAxon Refractivity55.69 m3·mol-1ChemAxon Polarizability23.43 Å3ChemAxon Number of Rings2ChemAxon 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

    HMDB28864 Metagene Link

    HMDB28864 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Urolithin A

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

    PMID: 1974152

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