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Hydroxyprolyl-Threonine

July 21, 2017
Common Name

Hydroxyprolyl-Threonine Description

Hydroxyprolyl-Threonine is a dipeptide composed of hydroxyproline and threonine. 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 HMDB28873 (Hydroxyprolyl-Threonine)

Synonyms

Value Source HP-T DipeptideHMDB hpro-THRHMDB HPT DipeptideHMDB Hydroxyproline threonine dipeptideHMDB Hydroxyproline-threonine dipeptideHMDB HydroxyprolylthreonineHMDB L-Hydroxyprolyl-L-threonineHMDB

Chemical Formlia

C9H16N2O5 Average Molecliar Weight

232.2337 Monoisotopic Molecliar Weight

232.105921632 IUPAC Name

3-hydroxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid Traditional Name

3-hydroxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid CAS Registry Number

Not Available SMILES

CC(O)C(NC(=O)C1CC(O)CN1)C(O)=O

InChI Identifier

InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-8(14)6-2-5(13)3-10-6/h4-7,10,12-13H,2-3H2,1H3,(H,11,14)(H,15,16)

InChI Key

HBWOJLKKRRLNRN-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

  • N-acyl-alpha amino acids
  • Short-chain hydroxy acids and derivatives
  • Hydroxy fatty acids
  • Heterocyclic fatty acids
  • Beta hydroxy acids and derivatives
  • Pyrrolidines
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Dialkylamines
  • Carboxylic acids
  • Carboximidic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Beta-hydroxy acid
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Short-chain hydroxy acid
  • Hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Amino acid
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Alcohol
  • 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-4.89Extrapolated

    Predicted Properties

    Property Value Source Water Solubility53.5 mg/mLALOGPS logP-3.3ALOGPS logP-4.9ChemAxon logS-0.64ALOGPS pKa (Strongest Acidic)3.43ChemAxon pKa (Strongest Basic)9.12ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area118.89 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity52.64 m3·mol-1ChemAxon Polarizability22.05 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

    HMDB28873 Metagene Link

    HMDB28873 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Brivudine

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Carpenter RD, Fettinger JC, Lam KS, Kurth MJ: Asymmetric catalysis: resin-bound hydroxyprolylthreonine derivatives in enamine-mediated reactions. Angew Chem Int Ed Engl. 2008;47(34):6407-10. doi: 10.1002/anie.200801811. [PubMed:18624312 ]

    PMID: 1388278

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