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Histidinyl-Gamma-glutamate

July 21, 2017
Common Name

Histidinyl-Gamma-glutamate Description

Histidinyl-Gamma-glutamate is a dipeptide composed of histidine 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 HMDB28899 (Histidinyl-Gamma-glutamate)

Synonyms

Value Source H-GE dipeptideHMDB HGE dipeptideHMDB His-ggluHMDB Histidine gamma-glutamate dipeptideHMDB Histidine-gamma-glutamate dipeptideHMDB Histidinylgamma-glutamateHMDB L-Histidinyl-L-gamma-glutamateHMDB

Chemical Formlia

C11H17N5O4 Average Molecliar Weight

283.2838 Monoisotopic Molecliar Weight

283.128054057 IUPAC Name

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

2-amino-5-[2-amino-3-(3H-imidazol-4-yl)propanamido]-5-oxopentanoic acid CAS Registry Number

Not Available SMILES

NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C11H17N5O4/c12-7(11(19)20)1-2-9(17)16-10(18)8(13)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12-13H2,(H,14,15)(H,19,20)(H,16,17,18)

InChI Key

PFZUBGMULASFDW-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resliting from reaction of cysteine 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

Histidine and derivatives Alternative Parents

  • Glutamine and derivatives
  • Alpha amino acid amides
  • Alpha amino acids
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • N-acyl amines
  • N-unsubstituted carboxylic acid imides
  • Dicarboximides
  • Heteroaromatic compounds
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Organic oxides
  • Monoalkylamines
  • Carbonyl compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives

    • Substituents

  • Histidine or derivatives
  • Glutamine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • N-acyl-amine
  • Azole
  • Carboxylic acid imide, n-unsubstituted
  • Carboxylic acid imide
  • Imidazole
  • Dicarboximide
  • Heteroaromatic compound
  • Amino acid
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • 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-5.26Extrapolated

    Predicted Properties

    Property Value Source Water Solubility6.02 mg/mLALOGPS logP-2.8ALOGPS logP-5.2ChemAxon logS-1.7ALOGPS pKa (Strongest Acidic)2.02ChemAxon pKa (Strongest Basic)9.41ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area164.19 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity68.09 m3·mol-1ChemAxon Polarizability27.74 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

    HMDB28899 Metagene Link

    HMDB28899 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: KR-33494

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

    PMID: 8496920

    Last updated on