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Cysteinyl-Glutamate

July 21, 2017
Common Name

Cysteinyl-Glutamate Description

Cysteinyl-Glutamate is a dipeptide composed of cysteine 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 HMDB28774 (Cysteinyl-Glutamate)

Synonyms

Value Source C-e DipeptideHMDB CE dipeptideHMDB Cys-gluHMDB Cysteine glutamate dipeptideHMDB Cysteine-glutamate dipeptideHMDB CysteinylglutamateHMDB L-Cysteinyl-L-glutamateHMDB

Chemical Formlia

C8H13N2O5S Average Molecliar Weight

249.264 Monoisotopic Molecliar Weight

249.054517226 IUPAC Name

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

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

Not Available SMILES

NC(CS)C(=O)NC(CCC(O)=O)C([O-])=O

InChI Identifier

InChI=1S/C8H14N2O5S/c9-4(3-16)7(13)10-5(8(14)15)1-2-6(11)12/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/p-1

InChI Key

BUXAPSQPMALTOY-UHFFFAOYSA-M Chemical Taxonomy Classification

Not classified 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-3.98Extrapolated

    Predicted Properties

    Property Value Source Water Solubility6.03 mg/mLALOGPS logP-2.7ALOGPS logP-4ChemAxon logS-1.6ALOGPS pKa (Strongest Acidic)3.25ChemAxon pKa (Strongest Basic)8.07ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area132.55 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity67.15 m3·mol-1ChemAxon Polarizability23.36 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

    HMDB28774 Metagene Link

    HMDB28774 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: PDE1-IN-2

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Abreu IA, Xavier AV, LeGall J, Cabelli DE, Teixeira M: Superoxide scavenging by neelaredoxin: dismutation and reduction activities in anaerobes. J Biol Inorg Chem. 2002 Jun;7(6):668-74. Epub 2002 Apr 18. [PubMed:12072976 ]
    2. Mutlib AE, Dickenson P, Chen SY, Espina RJ, Daniels JS, Gan LS: Bioactivation of benzylamine to reactive intermediates in rodents: formation of glutathione, glutamate, and peptide conjugates. Chem Res Toxicol. 2002 Sep;15(9):1190-207. [PubMed:12230413 ]

    PMID: 8755606

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