Posted inUncategorized

Hydroxyprolyl-Cysteine

July 21, 2017
Common Name

Hydroxyprolyl-Cysteine Description

Hydroxyprolyl-Cysteine is a dipeptide composed of hydroxyproline and cysteine. 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 HMDB28860 (Hydroxyprolyl-Cysteine)

Synonyms

Value Source Hydroxyproline cysteine dipeptideHMDB HP-C DipeptideHMDB HPC DipeptideHMDB hpro-CysHMDB Hydroxyproline-cysteine dipeptideHMDB HydroxyprolylcysteineHMDB L-Hydroxyprolyl-L-cysteineHMDB

Chemical Formlia

C8H14N2O4S Average Molecliar Weight

234.273 Monoisotopic Molecliar Weight

234.067427636 IUPAC Name

2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-slifanylpropanoic acid Traditional Name

2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-slifanylpropanoic acid CAS Registry Number

Not Available SMILES

OC1CNC(C1)C(=O)NC(CS)C(O)=O

InChI Identifier

InChI=1S/C8H14N2O4S/c11-4-1-5(9-2-4)7(12)10-6(3-15)8(13)14/h4-6,9,11,15H,1-3H2,(H,10,12)(H,13,14)

InChI Key

DTCRAYVKSFZQIQ-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

  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Cysteine and derivatives
  • Pyrrolidinecarboxamides
  • Secondary carboxylic acid amides
  • Secondary alcohols
  • 1,2-aminoalcohols
  • Amino acids
  • Alkylthiols
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Azacyclic compounds
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Proline or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Carboxamide group
  • Amino acid
  • Amino acid or derivatives
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Alkylthiol
  • Secondary aliphatic amine
  • Azacycle
  • Carboxylic acid
  • Secondary amine
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound

    • Molecliar Framework

    Aliphatic 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-4.21Extrapolated

    Predicted Properties

    Property Value Source Water Solubility1.84 mg/mLALOGPS logP-1.7ALOGPS logP-4.2ChemAxon logS-2.1ALOGPS pKa (Strongest Acidic)3.48ChemAxon pKa (Strongest Basic)9.07ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area98.66 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity54.41 m3·mol-1ChemAxon Polarizability22.74 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

    HMDB28860 Metagene Link

    HMDB28860 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Chlorotoxin

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

    PMID: 2545459

    Last updated on