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Histidinyl-Hydroxyproline

July 21, 2017
Common Name

Histidinyl-Hydroxyproline Description

Histidinyl-Hydroxyproline is a dipeptide composed of histidine and hydroxyproline. 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 HMDB28886 (Histidinyl-Hydroxyproline)

Synonyms

Value Source Histidine hydroxyproline dipeptideHMDB H-HP DipeptideHMDB HHP DipeptideHMDB His-hproHMDB Histidine-hydroxyproline dipeptideHMDB HistidinylhydroxyprolineHMDB L-Histidinyl-L-hydroxyprolineHMDB

Chemical Formlia

C11H16N4O4 Average Molecliar Weight

268.2691 Monoisotopic Molecliar Weight

268.11715502 IUPAC Name

1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name

1-[2-amino-3-(3H-imidazol-4-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid CAS Registry Number

Not Available SMILES

NC(CC1=CN=CN1)C(=O)N1CC(O)CC1C(O)=O

InChI Identifier

InChI=1S/C11H16N4O4/c12-8(1-6-3-13-5-14-6)10(17)15-4-7(16)2-9(15)11(18)19/h3,5,7-9,16H,1-2,4,12H2,(H,13,14)(H,18,19)

InChI Key

WEUKYXZXBBLBOY-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
  • Pyrrolidine carboxylic acids
  • N-acylpyrrolidines
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • Tertiary carboxylic acid amides
  • Heteroaromatic compounds
  • Secondary alcohols
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • 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
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid
  • Pyrrolidine carboxylic acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Azole
  • Heteroaromatic compound
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Imidazole
  • Amino acid
  • Secondary alcohol
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • 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-5.0Extrapolated

    Predicted Properties

    Property Value Source Water Solubility22.5 mg/mLALOGPS logP-3ALOGPS logP-4.8ChemAxon logS-1.1ALOGPS pKa (Strongest Acidic)3.3ChemAxon pKa (Strongest Basic)8.02ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area132.54 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity64.36 m3·mol-1ChemAxon Polarizability25.23 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

    HMDB28886 Metagene Link

    HMDB28886 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: EMD534085

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

    PMID: 9504386

    Last updated on