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Hydroxyprolyl-Gamma-glutamate

July 21, 2017
Common Name

Hydroxyprolyl-Gamma-glutamate Description

Hydroxyprolyl-Gamma-glutamate is a dipeptide composed of hydroxyproline 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 HMDB28877 (Hydroxyprolyl-Gamma-glutamate)

Synonyms

Value Source HP-GE dipeptideHMDB HPGE dipeptideHMDB hpro-GGluHMDB Hydroxyproline gamma-glutamate dipeptideHMDB Hydroxyproline-gamma-glutamate dipeptideHMDB Hydroxyprolylgamma-glutamateHMDB L-Hydroxyprolyl-L-gamma-glutamateHMDB

Chemical Formlia

C10H17N3O5 Average Molecliar Weight

259.2591 Monoisotopic Molecliar Weight

259.116820669 IUPAC Name

2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid Traditional Name

2-amino-5-[(4-hydroxypyrrolidin-2-yl)formamido]-5-oxopentanoic acid CAS Registry Number

Not Available SMILES

NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O5/c11-6(10(17)18)1-2-8(15)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4,11H2,(H,17,18)(H,13,15,16)

InChI Key

NPKNLZYTSOWNFP-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resliting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Glutamine and derivatives Alternative Parents

  • Proline and derivatives
  • Alpha amino acid amides
  • Alpha amino acids
  • Pyrrolidinecarboxamides
  • Hydroxy fatty acids
  • Heterocyclic fatty acids
  • N-acyl amines
  • N-unsubstituted carboxylic acid imides
  • Dicarboximides
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Glutamine or derivatives
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Hydroxy fatty acid
  • Heterocyclic fatty acid
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Carboxylic acid imide, n-unsubstituted
  • Pyrrolidine
  • Carboxylic acid imide
  • Dicarboximide
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Primary aliphatic amine
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Organooxygen 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-5.35Extrapolated

    Predicted Properties

    Property Value Source Water Solubility10.4 mg/mLALOGPS logP-3ALOGPS logP-5.4ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)1.85ChemAxon pKa (Strongest Basic)9.59ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area141.75 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity59.41 m3·mol-1ChemAxon Polarizability24.85 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

    HMDB28877 Metagene Link

    HMDB28877 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Celgosivir (hydrochloride)

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

    PMID: 2936965

    Last updated on