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Tryptophyl-Glutamate

July 21, 2017
Common Name

Tryptophyl-Glutamate Description

Tryptophyl-Glutamate is a dipeptide composed of tryptophan and glutamate. 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 HMDB29082 (Tryptophyl-Glutamate)

Synonyms

Value Source L-Tryptophyl-L-glutamateHMDB TRP-GluHMDB Tryptophan glutamate dipeptideHMDB Tryptophan-glutamate dipeptideHMDB TryptophylglutamateHMDB W-e DipeptideHMDB WE dipeptideHMDB

Chemical Formlia

C16H18N3O5 Average Molecliar Weight

332.3312 Monoisotopic Molecliar Weight

332.124645701 IUPAC Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoate Traditional Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoate CAS Registry Number

Not Available SMILES

NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=O)C([O-])=O

InChI Identifier

InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1

InChI Key

PWIQCLSQVQBOQV-UHFFFAOYSA-M 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

  • Glutamic acid and derivatives
  • N-acyl-alpha amino acids
  • Tryptamines and derivatives
  • Alpha amino acid amides
  • 3-alkylindoles
  • Aralkylamines
  • Substituted pyrroles
  • Benzenoids
  • Dicarboxylic acids and derivatives
  • Fatty amides
  • Heteroaromatic compounds
  • Amino acids
  • Secondary carboxylic acid amides
  • Carboxylic acids
  • Azacyclic compounds
  • Organic oxides
  • Organopnictogen compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic anions

    • Substituents

  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Triptan
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Aralkylamine
  • Substituted pyrrole
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Benzenoid
  • Fatty amide
  • Heteroaromatic compound
  • Pyrrole
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid
  • Organonitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Primary amine
  • Organic nitrogen compound
  • Organic anion
  • 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-2.24Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.84 mg/mLALOGPS logP-1.1ALOGPS logP-2.2ChemAxon logS-2.6ALOGPS pKa (Strongest Acidic)3.37ChemAxon pKa (Strongest Basic)7.96ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area148.34 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity95.13 m3·mol-1ChemAxon Polarizability32.56 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

    HMDB29082 Metagene Link

    HMDB29082 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: N-Desmethylclozapine

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

    PMID: 12445705

    Last updated on