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Cysteinyl-Arginine

July 21, 2017
Common Name

Cysteinyl-Arginine Description

Cysteinyl-Arginine is a dipeptide composed of cysteine and arginine. 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 HMDB28769 (Cysteinyl-Arginine)

Synonyms

Value Source C-R DipeptideHMDB CR DipeptideHMDB Cys-argHMDB Cysteine arginine dipeptideHMDB Cysteine-arginine dipeptideHMDB CysteinylarginineHMDB L-Cysteinyl-L-arginineHMDB

Chemical Formlia

C9H19N5O3S Average Molecliar Weight

277.344 Monoisotopic Molecliar Weight

277.120860189 IUPAC Name

2-(2-amino-3-slifanylpropanamido)-5-carbamimidamidopentanoic acid Traditional Name

2-(2-amino-3-slifanylpropanamido)-5-carbamimidamidopentanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)

InChI Key

RGTVXXNMOGHRAY-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

  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Cysteine and derivatives
  • Fatty acids and conjugates
  • Secondary carboxylic acid amides
  • Amino acids
  • Guanidines
  • Alkylthiols
  • Propargyl-type 1,3-dipolar organic compounds
  • Carboxylic acids
  • Carboximidamides
  • Monocarboxylic acids and derivatives
  • Hydrocarbon derivatives
  • Organopnictogen compounds
  • Carbonyl compounds
  • Monoalkylamines
  • Organic oxides

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid or derivatives
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Amino acid
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Alkylthiol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organoslifur compound
  • Primary amine
  • Organic oxygen compound
  • 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-3.71Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.65 mg/mLALOGPS logP-3ALOGPS logP-3.7ChemAxon logS-2.2ALOGPS pKa (Strongest Acidic)3.62ChemAxon pKa (Strongest Basic)12.03ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area154.32 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity78.95 m3·mol-1ChemAxon Polarizability28.47 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

    HMDB28769 Metagene Link

    HMDB28769 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: SUN11602

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

    PMID: 1578281

    Last updated on