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Glutamyl-Threonine

July 21, 2017
Common Name

Glutamyl-Threonine Description

Glutamyl-Threonine is a dipeptide composed of glutamate and threonine. 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 HMDB28829 (Glutamyl-Threonine)

Synonyms

Value Source e-T DipeptideHMDB ET dipeptideHMDB Glu-THRHMDB Glutamate threonine dipeptideHMDB Glutamate-threonine dipeptideHMDB GlutamylthreonineHMDB L-Glutamyl-L-threonineHMDB

Chemical Formlia

C9H15N2O6 Average Molecliar Weight

247.2252 Monoisotopic Molecliar Weight

247.093011222 IUPAC Name

4-amino-4-[(1-carboxy-2-hydroxypropyl)carbamoyl]butanoate Traditional Name

4-amino-4-[(1-carboxy-2-hydroxypropyl)carbamoyl]butanoate CAS Registry Number

Not Available SMILES

CC(O)C(NC(=O)C(N)CCC([O-])=O)C(O)=O

InChI Identifier

InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1

InChI Key

JSIQVRIXMINMTA-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
  • Alpha amino acid amides
  • Short-chain hydroxy acids and derivatives
  • Amino fatty acids
  • Beta hydroxy acids and derivatives
  • Hydroxy fatty acids
  • N-acyl amines
  • Dicarboxylic acids and derivatives
  • Secondary carboxylic acid amides
  • Secondary alcohols
  • Amino acids
  • Carboxylic acids
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Monoalkylamines
  • Organic oxides
  • Organic anions

    • Substituents

  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amino fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Short-chain hydroxy acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Hydroxy acid
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Alcohol
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic anion
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic 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-4.66Extrapolated

    Predicted Properties

    Property Value Source Water Solubility44.7 mg/mLALOGPS logP-3ALOGPS logP-4.7ChemAxon logS-0.77ALOGPS pKa (Strongest Acidic)3.2ChemAxon pKa (Strongest Basic)8.45ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area152.78 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity65.38 m3·mol-1ChemAxon Polarizability22.93 Å3ChemAxon Number of Rings0ChemAxon 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

    HMDB28829 Metagene Link

    HMDB28829 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: TAS-102

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Devriendt K, Matthijs G, Van Damme B, Van Caesbroeck D, Eccles M, Vanrenterghem Y, Fryns JP, Leys A: Missense mutation and hexanucleotide duplication in the PAX2 gene in two unrelated families with renal-coloboma syndrome (MIM 120330). Hum Genet. 1998 Aug;103(2):149-53. [PubMed:9760197 ]

    PMID: 21827451

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