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Hydroxyprolyl-Tyrosine

July 21, 2017
Common Name

Hydroxyprolyl-Tyrosine Description

Hydroxyprolyl-Tyrosine is a dipeptide composed of hydroxyproline and tyrosine. 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 HMDB28875 (Hydroxyprolyl-Tyrosine)

Synonyms

Value Source Hydroxyproline tyrosine dipeptideHMDB HP-Y dipeptideHMDB hpro-TyrHMDB HPY dipeptideHMDB Hydroxyproline-tyrosine dipeptideHMDB HydroxyprolyltyrosineHMDB L-Hydroxyprolyl-L-tyrosineHMDB

Chemical Formlia

C14H18N2O5 Average Molecliar Weight

294.3031 Monoisotopic Molecliar Weight

294.121571696 IUPAC Name

3-(4-hydroxyphenyl)-2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid Traditional Name

3-(4-hydroxyphenyl)-2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid CAS Registry Number

Not Available SMILES

OC1CNC(C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C14H18N2O5/c17-9-3-1-8(2-4-9)5-12(14(20)21)16-13(19)11-6-10(18)7-15-11/h1-4,10-12,15,17-18H,5-7H2,(H,16,19)(H,20,21)

InChI Key

KYOLCXJAAOGMSB-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid moleclies (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Peptides Alternative Parents

  • Tyrosine and derivatives
  • Phenylalanine and derivatives
  • N-acyl-alpha amino acids
  • Phenylpropanoic acids
  • Amphetamines and derivatives
  • 1-hydroxy-2-unsubstituted benzenoids
  • Pyrrolidines
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboximidic acids
  • Dialkylamines
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Carbonyl compounds
  • Hydrocarbon derivatives

    • Substituents

  • Alpha peptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyrrolidine
  • Amino acid or derivatives
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Alcohol
  • Organic oxygen compound
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic nitrogen 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-2.9Extrapolated

    Predicted Properties

    Property Value Source Water Solubility2.97 mg/mLALOGPS logP-2ALOGPS logP-2.9ChemAxon logS-2ALOGPS pKa (Strongest Acidic)3.39ChemAxon pKa (Strongest Basic)8.97ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area118.89 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity73.28 m3·mol-1ChemAxon Polarizability29.29 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

    HMDB28875 Metagene Link

    HMDB28875 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Indole-3-butyric acid

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

    PMID: 8882605

    Last updated on