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Prolyl-Histidine

July 21, 2017
Common Name

Prolyl-Histidine Description

Prolyl-Histidine is a dipeptide composed of proline and histidine. 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 HMDB29019 (Prolyl-Histidine)

Synonyms

Value Source L-Prolyl-L-histidineHMDB P-H DipeptideHMDB PH DipeptideHMDB pro-HisHMDB Proline histidine dipeptideHMDB Proline-histidine dipeptideHMDB ProlylhistidineHMDB

Chemical Formlia

C11H16N4O3 Average Molecliar Weight

252.2697 Monoisotopic Molecliar Weight

252.122240398 IUPAC Name

3-(1H-imidazol-5-yl)-2-(pyrrolidin-2-ylformamido)propanoic acid Traditional Name

3-(3H-imidazol-4-yl)-2-(pyrrolidin-2-ylformamido)propanoic acid CAS Registry Number

Not Available SMILES

OC(=O)C(CC1=CN=CN1)NC(=O)C1CCCN1

InChI Identifier

InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)

InChI Key

BEPSGCXDIVACBU-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

  • Histidine and derivatives
  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Imidazolyl carboxylic acids and derivatives
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Dialkylamines
  • Carboxylic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Proline or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Imidazolyl carboxylic acid derivative
  • Azole
  • Pyrrolidine
  • Heteroaromatic compound
  • Imidazole
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid
  • Amino acid or derivatives
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic 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-3.64Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.96 mg/mLALOGPS logP-1.8ALOGPS logP-3.9ChemAxon logS-2.1ALOGPS pKa (Strongest Acidic)3.4ChemAxon pKa (Strongest Basic)9.8ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area107.11 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity62.92 m3·mol-1ChemAxon Polarizability25.3 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

    HMDB29019 Metagene Link

    HMDB29019 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Polydatin

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

    PMID: 11755147

    Last updated on