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Prolyl-Tryptophan

July 21, 2017
Common Name

Prolyl-Tryptophan Description

Prolyl-Tryptophan is a dipeptide composed of proline 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

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29028 (Prolyl-Tryptophan)

Synonyms

Value Source L-Prolyl-L-tryptophanHMDB P-W DipeptideHMDB pro-TRPHMDB Proline tryptophan dipeptideHMDB Proline-tryptophan dipeptideHMDB ProlyltryptophanHMDB PW DipeptideHMDB

Chemical Formlia

C16H19N3O3 Average Molecliar Weight

301.3404 Monoisotopic Molecliar Weight

301.142641489 IUPAC Name

3-(1H-indol-3-yl)-2-(pyrrolidin-2-ylformamido)propanoic acid Traditional Name

3-(1H-indol-3-yl)-2-(pyrrolidin-2-ylformamido)propanoic acid CAS Registry Number

Not Available SMILES

OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCN1

InChI Identifier

InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)

InChI Key

UEKYKRQIAQHOOZ-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

  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • 3-alkylindoles
  • Pyrrolidinecarboxamides
  • Substituted pyrroles
  • Benzenoids
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Proline or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Pyrrolidine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Secondary aliphatic amine
  • Carboxylic acid
  • Organoheterocyclic compound
  • Azacycle
  • Secondary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • 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-1.35Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.44 mg/mLALOGPS logP0.15ALOGPS logP-1.4ChemAxon logS-2.8ALOGPS pKa (Strongest Acidic)3.85ChemAxon pKa (Strongest Basic)9.81ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area94.22 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity81.07 m3·mol-1ChemAxon Polarizability31.61 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

    HMDB29028 Metagene Link

    HMDB29028 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Saroglitazar

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Rizza V, Bousquet E, Guerrera F, De Regis M: Regulation of cerebral kynurenine and 5-hydroxyindole pathways during tryptophan loading. Cephalalgia. 1983 Aug;3 Suppl 1:139-42. [PubMed:6604581 ]
    2. Domaradskii IV, Borunova SF, Filkova EV, Sitnikov BS, Levadnaia TB: [Intergeneric transmission of chromosomal genes with the aid of Pseudomonas aeruginosa RP factor]. Zh Mikrobiol Epidemiol Immunobiol. 1976 Nov;(11):59-64. [PubMed:827165 ]

    PMID: 1678712

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