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Cysteinyl-Methionine

July 21, 2017
Common Name

Cysteinyl-Methionine Description

Cysteinyl-Methionine is a dipeptide composed of cysteine and methionine. 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 HMDB28781 (Cysteinyl-Methionine)

Synonyms

Value Source C-m DipeptideHMDB CM DipeptideHMDB Cys-metHMDB Cysteine methionine dipeptideHMDB Cysteine-methionine dipeptideHMDB CysteinylmethionineHMDB L-Cysteinyl-L-methionineHMDB

Chemical Formlia

C8H16N2O3S2 Average Molecliar Weight

252.354 Monoisotopic Molecliar Weight

252.060233768 IUPAC Name

2-(2-amino-3-slifanylpropanamido)-4-(methylslifanyl)butanoic acid Traditional Name

2-(2-amino-3-slifanylpropanamido)-4-(methylslifanyl)butanoic acid CAS Registry Number

Not Available SMILES

CSCCC(NC(=O)C(N)CS)C(O)=O

InChI Identifier

InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13)

InChI Key

OOULJWDSSVOMHX-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid moleclies (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Peptides Alternative Parents

  • N-acyl-alpha amino acids
  • Thia fatty acids
  • Amino acids
  • Slifenyl compounds
  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Dialkylthioethers
  • Carboxylic acids
  • Carboximidic acids
  • Alkylthiols
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid or derivatives
  • Amino acid
  • Alkylthiol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Dialkylthioether
  • Thioether
  • Slifenyl compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Organic oxide
  • Primary amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Amine
  • Primary aliphatic amine
  • 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-2.68Extrapolated

    Predicted Properties

    Property Value Source Water Solubility3.21 mg/mLALOGPS logP-1.4ALOGPS logP-2.7ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)3.75ChemAxon pKa (Strongest Basic)8.07ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area92.42 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity62.61 m3·mol-1ChemAxon Polarizability25.8 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

    HMDB28781 Metagene Link

    HMDB28781 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: 10074-G5

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

    PMID: 17925479

    Last updated on