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Cysteinyl-Tyrosine

July 21, 2017
Common Name

Cysteinyl-Tyrosine Description

Cysteinyl-Tyrosine is a dipeptide composed of cysteine and tyrosine. 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

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB28787 (Cysteinyl-Tyrosine)

Synonyms

Value Source C-Y dipeptideHMDB CY dipeptideHMDB Cys-tyrHMDB Cysteine tyrosine dipeptideHMDB Cysteine-tyrosine dipeptideHMDB CysteinyltyrosineHMDB L-Cysteinyl-L-tyrosineHMDB N-L-Cysteinyl-L-tyrosineMeSH

Chemical Formlia

C12H16N2O4S Average Molecliar Weight

284.331 Monoisotopic Molecliar Weight

284.0830777 IUPAC Name

2-(2-amino-3-slifanylpropanamido)-3-(4-hydroxyphenyl)propanoic acid Traditional Name

2-(2-amino-3-slifanylpropanamido)-3-(4-hydroxyphenyl)propanoic acid CAS Registry Number

Not Available SMILES

NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C12H16N2O4S/c13-9(6-19)11(16)14-10(12(17)18)5-7-1-3-8(15)4-2-7/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)

InChI Key

DSTWKJOBKSMVCV-UHFFFAOYSA-N 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

  • Tyrosine and derivatives
  • Phenylalanine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Cysteine and derivatives
  • Phenylpropanoic acids
  • Amphetamines and derivatives
  • 1-hydroxy-2-unsubstituted benzenoids
  • Secondary carboxylic acid amides
  • Amino acids
  • Alkylthiols
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Alkylthiol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organoslifur compound
  • Carbonyl group
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound

    • Molecliar Framework

    Aromatic homomonocyclic 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-1.98Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.86 mg/mLALOGPS logP-1.8ALOGPS logP-2ChemAxon logS-2.5ALOGPS pKa (Strongest Acidic)3.45ChemAxon pKa (Strongest Basic)8.06ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area112.65 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity72.12 m3·mol-1ChemAxon Polarizability28.7 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

    HMDB28787 Metagene Link

    HMDB28787 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Coenzyme Q9

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Kloczewiak M, Timmons S, Lukas TJ, Hawiger J: Platelet receptor recognition site on human fibrinogen. Synthesis and structure-function relationship of peptides corresponding to the carboxy-terminal segment of the gamma chain. Biochemistry. 1984 Apr 10;23(8):1767-74. [PubMed:6326808 ]
    2. Simmons CR, Liu Q, Huang Q, Hao Q, Begley TP, Karplus PA, Stipanuk MH: Crystal structure of mammalian cysteine dioxygenase. A novel mononuclear iron center for cysteine thiol oxidation. J Biol Chem. 2006 Jul 7;281(27):18723-33. Epub 2006 Apr 11. [PubMed:16611640 ]
    3. Jean PA, Reed DJ: In vitro dipeptide, nucleoside, and glutathione alkylation by S-(2-chloroethyl)glutathione and S-(2-chloroethyl)-L-cysteine. Chem Res Toxicol. 1989 Nov-Dec;2(6):455-60. [PubMed:2519737 ]
    4. Doolittle RF, Singer SJ, Metzger H: Evolution of immunoglobulin polypeptide chains: carboxy-terminal of an IgM heavy chain. Science. 1966 Dec 23;154(3756):1561-2. [PubMed:4162777 ]
    5. Fang H, Yue X, Li X, Taylor JS: Identification and characterization of high affinity antisense PNAs for the human unr (upstream of N-ras) mRNA which is uniquely overexpressed in MCF-7 breast cancer cells. Nucleic Acids Res. 2005 Nov 27;33(21):6700-11. Print 2005. [PubMed:16314303 ]
    6. Joseph CA, Maroney MJ: Cysteine dioxygenase: structure and mechanism. Chem Commun (Camb). 2007 Aug 28;(32):3338-49. [PubMed:18019494 ]

    PMID: 10431754

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