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Hydroxyprolyl-Tryptophan

July 21, 2017
Common Name

Hydroxyprolyl-Tryptophan Description

Hydroxyprolyl-Tryptophan is a dipeptide composed of hydroxyproline and tryptophan. 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

MOLSDFPDBSMILESInChI

Structure for HMDB28874 (Hydroxyprolyl-Tryptophan)

Synonyms

Value Source Hydroxyproline tryptophan dipeptideHMDB HP-W DipeptideHMDB hpro-TRPHMDB HPW DipeptideHMDB Hydroxyproline-tryptophan dipeptideHMDB HydroxyprolyltryptophanHMDB L-Hydroxyprolyl-L-tryptophanHMDB

Chemical Formlia

C16H19N3O4 Average Molecliar Weight

317.3398 Monoisotopic Molecliar Weight

317.137556111 IUPAC Name

2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid Traditional Name

2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid CAS Registry Number

Not Available SMILES

OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23)

InChI Key

PMCORMXOLUUGHL-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
  • Indolyl carboxylic acids and derivatives
  • 3-alkylindoles
  • Substituted pyrroles
  • Benzenoids
  • Pyrrolidines
  • Heteroaromatic compounds
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Carboximidic acids
  • Azacyclic compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha peptide
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Indolyl carboxylic acid derivative
  • 3-alkylindole
  • Alpha-amino acid or derivatives
  • Indole
  • Indole or derivatives
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrolidine
  • Pyrrole
  • Amino acid or derivatives
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Amine
  • Organic oxide
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Alcohol
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound

    • Molecliar Framework

    Aromatic heteropolycyclic 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-2.5Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.07 mg/mLALOGPS logP-0.95ALOGPS logP-2.5ChemAxon logS-2.5ALOGPS pKa (Strongest Acidic)3.73ChemAxon pKa (Strongest Basic)9.12ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area114.45 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity82.39 m3·mol-1ChemAxon Polarizability32.03 Å3ChemAxon Number of Rings3ChemAxon 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

    HMDB28874 Metagene Link

    HMDB28874 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Mozavaptan

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

    PMID: 1969469

    Last updated on