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Asparaginyl-Glutamate

July 24, 2017
Common Name

Asparaginyl-Glutamate Description

Asparaginyl-Glutamate is a dipeptide composed of asparagine 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

Synonyms

Value Source Asn-gluHMDB Asparagine glutamate dipeptideHMDB Asparagine-glutamate dipeptideHMDB AsparaginylglutamateHMDB L-Asparaginyl-L-glutamateHMDB N-e DipeptideHMDB NE dipeptideHMDB

Chemical Formlia

C9H14N3O6 Average Molecliar Weight

260.224 Monoisotopic Molecliar Weight

260.088260195 IUPAC Name

2-(2-amino-3-carbamoylpropanamido)-4-carboxybutanoate Traditional Name

2-(2-amino-3-carbamoylpropanamido)-4-carboxybutanoate CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C9H15N3O6/c10-4(3-6(11)13)8(16)12-5(9(17)18)1-2-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/p-1

InChI Key

IIFDPDVJAHQFSR-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
  • Asparagine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • N-acyl amines
  • Dicarboxylic acids and derivatives
  • Fatty acids and conjugates
  • Secondary carboxylic acid amides
  • Primary carboxylic acid amides
  • Amino acids
  • Carboxylic acids
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Carbonyl compounds
  • Organic oxides
  • Organic anions

    • Substituents

  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • Asparagine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • 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-5.48Extrapolated

    Predicted Properties

    Property Value Source Water Solubility11.9 mg/mLALOGPS logP-3.4ALOGPS logP-5.5ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)3.11ChemAxon pKa (Strongest Basic)7.35ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area175.64 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity67.28 m3·mol-1ChemAxon Polarizability23.73 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

    HMDB28730 Metagene Link

    HMDB28730 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Nitrendipine

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

    PMID: 10027919

    Last updated on