Prolyl-Glutamate

Common Name

Prolyl-Glutamate Description

Prolyl-Glutamate is a dipeptide composed of proline 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

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29016 (Prolyl-Glutamate)

Synonyms

Value Source L-Prolyl-L-glutamateHMDB P-e DipeptideHMDB PE dipeptideHMDB pro-GluHMDB Proline glutamate dipeptideHMDB Proline-glutamate dipeptideHMDB ProlylglutamateHMDB

Chemical Formlia

C10H15N2O5 Average Molecliar Weight

243.2365 Monoisotopic Molecliar Weight

243.0980966 IUPAC Name

4-carboxy-2-(pyrrolidin-2-ylformamido)butanoate Traditional Name

4-carboxy-2-(pyrrolidin-2-ylformamido)butanoate CAS Registry Number

Not Available SMILES

OC(=O)CCC(NC(=O)C1CCCN1)C([O-])=O

InChI Identifier

InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/p-1

InChI Key

QLROSWPKSBORFJ-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
  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Heterocyclic fatty acids
  • Dicarboxylic acids and derivatives
  • Secondary carboxylic acid amides
  • Amino acids
  • Carboxylic acid salts
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Organic salts
  • Organopnictogen compounds
  • Carbonyl compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Organic anions
  • Substituents

  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Heterocyclic fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Fatty acid
  • Pyrrolidine
  • Amino acid
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic salt
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic anion
  • 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-3.74Extrapolated

    Predicted Properties

    Property Value Source Water Solubility9.39 mg/mLALOGPS logP-2.6ALOGPS logP-3.7ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)3.3ChemAxon pKa (Strongest Basic)9.81ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area118.56 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity66.99 m3·mol-1ChemAxon Polarizability23.53 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

    HMDB29016 Metagene Link

    HMDB29016 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: NMS-P118

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

    PMID: 3872342