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Tryptophyl-Arginine

July 21, 2017
Common Name

Tryptophyl-Arginine Description

Tryptophyl-Arginine is a dipeptide composed of tryptophan and arginine. 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 HMDB29077 (Tryptophyl-Arginine)

Synonyms

Value Source L-Tryptophyl-L-arginineHMDB TRP-ArgHMDB Tryptophan arginine dipeptideHMDB Tryptophan-arginine dipeptideHMDB TryptophylarginineHMDB W-R DipeptideHMDB WR DipeptideHMDB

Chemical Formlia

C17H24N6O3 Average Molecliar Weight

360.4109 Monoisotopic Molecliar Weight

360.190988664 IUPAC Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid Traditional Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid CAS Registry Number

Not Available SMILES

NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C17H24N6O3/c18-12(8-10-9-22-13-5-2-1-4-11(10)13)15(24)23-14(16(25)26)6-3-7-21-17(19)20/h1-2,4-5,9,12,14,22H,3,6-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)

InChI Key

LCPVBXOHXMBLFW-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

  • N-acyl-alpha amino acids
  • Tryptamines and derivatives
  • Alpha amino acid amides
  • 3-alkylindoles
  • Aralkylamines
  • Substituted pyrroles
  • Benzenoids
  • Fatty amides
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Guanidines
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Carboximidamides
  • Azacyclic compounds
  • Propargyl-type 1,3-dipolar organic compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Organic oxides
  • Organopnictogen compounds
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Triptan
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Aralkylamine
  • Fatty amide
  • Substituted pyrrole
  • Benzenoid
  • Fatty acyl
  • Pyrrole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Carboxamide group
  • Guanidine
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboximidamide
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid
  • Organic 1,3-dipolar compound
  • Monocarboxylic acid or derivatives
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • 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-1.92Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.077 mg/mLALOGPS logP-2.1ALOGPS logP-1.9ChemAxon logS-3.7ALOGPS pKa (Strongest Acidic)3.66ChemAxon pKa (Strongest Basic)12.09ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area170.11 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity106.93 m3·mol-1ChemAxon Polarizability37.5 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

    HMDB29077 Metagene Link

    HMDB29077 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Conduritol B epoxide

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Shuai HL, Luo X, Yan RL, Li J, Chen DL: XRCC1 polymorphisms are associated with cervical cancer risk and response to chemotherapy: a systematic review and meta-analysis. Asian Pac J Cancer Prev. 2012;13(12):6423-7. [PubMed:23464469 ]

    PMID: 11020478

    Last updated on