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Hydroxyprolyl-Asparagine

July 21, 2017
Common Name

Hydroxyprolyl-Asparagine Description

Hydroxyprolyl-Asparagine is a dipeptide composed of hydroxyproline and asparagine. 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 HMDB28858 (Hydroxyprolyl-Asparagine)

Synonyms

Value Source Hydroxyproline asparagine dipeptideHMDB HP-N DipeptideHMDB HPN DipeptideHMDB hpro-AsnHMDB Hydroxyproline-asparagine dipeptideHMDB HydroxyprolylasparagineHMDB L-Hydroxyprolyl-L-asparagineHMDB

Chemical Formlia

C9H15N3O5 Average Molecliar Weight

245.2325 Monoisotopic Molecliar Weight

245.101170605 IUPAC Name

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

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

Not Available SMILES

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

InChI Identifier

InChI=1S/C9H15N3O5/c10-7(14)2-6(9(16)17)12-8(15)5-1-4(13)3-11-5/h4-6,11,13H,1-3H2,(H2,10,14)(H,12,15)(H,16,17)

InChI Key

GUZRMGFLLJQHCW-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
  • Hydroxy fatty acids
  • Heterocyclic fatty acids
  • 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
  • Heterocyclic fatty acid
  • Hydroxy fatty 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
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Amine
  • Organopnictogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Organic nitrogen 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-5.7Extrapolated

    Predicted Properties

    Property Value Source Water Solubility19.2 mg/mLALOGPS logP-3.5ALOGPS logP-5.7ChemAxon logS-1.1ALOGPS pKa (Strongest Acidic)3.36ChemAxon pKa (Strongest Basic)9.12ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area141.75 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity54.54 m3·mol-1ChemAxon Polarizability22.49 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

    HMDB28858 Metagene Link

    HMDB28858 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: 3-(Methylthio)propionic acid

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

    PMID: 2177047

    Last updated on