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Prolyl-Gamma-glutamate

July 21, 2017
Common Name

Prolyl-Gamma-glutamate Description

Prolyl-Gamma-glutamate is a dipeptide composed of proline and gamma-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 HMDB29031 (Prolyl-Gamma-glutamate)

Synonyms

Value Source L-Prolyl-L-gamma-glutamateHMDB P-GE dipeptideHMDB PGE dipeptideHMDB pro-GGluHMDB Proline gamma-glutamate dipeptideHMDB Proline-gamma-glutamate dipeptideHMDB Prolylgamma-glutamateHMDB

Chemical Formlia

C10H17N3O4 Average Molecliar Weight

243.2597 Monoisotopic Molecliar Weight

243.121906047 IUPAC Name

2-amino-5-oxo-5-(pyrrolidin-2-ylformamido)pentanoic acid Traditional Name

2-amino-5-oxo-5-(pyrrolidin-2-ylformamido)pentanoic acid CAS Registry Number

Not Available SMILES

NC(CCC(=O)NC(=O)C1CCCN1)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O4/c11-6(10(16)17)3-4-8(14)13-9(15)7-2-1-5-12-7/h6-7,12H,1-5,11H2,(H,16,17)(H,13,14,15)

InChI Key

FSGFZJVYAZKWHO-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

  • Glutamine and derivatives
  • Proline and derivatives
  • Alpha amino acid amides
  • Alpha amino acids
  • Pyrrolidinecarboxamides
  • Heterocyclic fatty acids
  • N-acyl amines
  • N-unsubstituted carboxylic acid imides
  • Dicarboximides
  • Amino acids
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Monocarboxylic acids and derivatives
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Organopnictogen compounds
  • Carbonyl compounds
  • Organic oxides

    • Substituents

  • Alpha-dipeptide
  • Glutamine or derivatives
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Heterocyclic fatty acid
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Pyrrolidine
  • Carboxylic acid imide
  • Dicarboximide
  • Carboxylic acid imide, n-unsubstituted
  • Amino acid
  • Amino acid or derivatives
  • Organoheterocyclic compound
  • Secondary amine
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • 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-4.22Extrapolated

    Predicted Properties

    Property Value Source Water Solubility4.69 mg/mLALOGPS logP-2.6ALOGPS logP-4.4ChemAxon logS-1.7ALOGPS pKa (Strongest Acidic)1.85ChemAxon pKa (Strongest Basic)9.96ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area121.52 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity58.1 m3·mol-1ChemAxon Polarizability24.23 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

    HMDB29031 Metagene Link

    HMDB29031 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Alexamorelin

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

    PMID: 26517556

    Last updated on