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Histidinyl-Glutamate

July 21, 2017
Common Name

Histidinyl-Glutamate Description

Histidinyl-Glutamate is a dipeptide composed of histidine 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

Structure for HMDB28884 (Histidinyl-Glutamate)

Synonyms

Value Source H-e DipeptideHMDB HE dipeptideHMDB His-gluHMDB Histidine glutamate dipeptideHMDB Histidine-glutamate dipeptideHMDB HistidinylglutamateHMDB L-Histidinyl-L-glutamateHMDB

Chemical Formlia

C11H15N4O5 Average Molecliar Weight

283.2606 Monoisotopic Molecliar Weight

283.10424461 IUPAC Name

2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-4-carboxybutanoate Traditional Name

2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-4-carboxybutanoate CAS Registry Number

Not Available SMILES

NC(CC1=CN=CN1)C(=O)NC(CCC(O)=O)C([O-])=O

InChI Identifier

InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1

InChI Key

VHOLZZKNEBBHTH-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

  • Histidine and derivatives
  • Glutamic acid and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • Fatty amides
  • Dicarboxylic acids and derivatives
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Azacyclic compounds
  • Carboxylic acids
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Monoalkylamines
  • Organic oxides
  • Organic anions

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • Glutamic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Primary amine
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic 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-6.26Extrapolated

    Predicted Properties

    Property Value Source Water Solubility10.7 mg/mLALOGPS logP-3.1ALOGPS logP-6.2ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)3.07ChemAxon pKa (Strongest Basic)8.02ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area161.23 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity76.98 m3·mol-1ChemAxon Polarizability26.9 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

    HMDB28884 Metagene Link

    HMDB28884 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: BAR501

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

    PMID: 20670838

    Last updated on