Posted inUncategorized

Prolyl-Methionine

July 21, 2017
Common Name

Prolyl-Methionine Description

Prolyl-Methionine is a dipeptide composed of proline 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 HMDB29023 (Prolyl-Methionine)

Synonyms

Value Source L-Prolyl-L-methionineHMDB P-m DipeptideHMDB PM DipeptideHMDB pro-MetHMDB Proline methionine dipeptideHMDB Proline-methionine dipeptideHMDB ProlylmethionineHMDB

Chemical Formlia

C10H18N2O3S Average Molecliar Weight

246.327 Monoisotopic Molecliar Weight

246.103813142 IUPAC Name

4-(methylslifanyl)-2-(pyrrolidin-2-ylformamido)butanoic acid Traditional Name

4-(methylslifanyl)-2-(pyrrolidin-2-ylformamido)butanoic acid CAS Registry Number

Not Available SMILES

CSCCC(NC(=O)C1CCCN1)C(O)=O

InChI Identifier

InChI=1S/C10H18N2O3S/c1-16-6-4-8(10(14)15)12-9(13)7-3-2-5-11-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)

InChI Key

MTWJTFBVRDGROD-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

  • Methionine and derivatives
  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Thia fatty acids
  • Heterocyclic fatty acids
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Azacyclic compounds
  • Carboxylic acids
  • Dialkylamines
  • Monocarboxylic acids and derivatives
  • Dialkylthioethers
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Proline or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine carboxylic acid or derivatives
  • Thia fatty acid
  • Heterocyclic fatty acid
  • Fatty acyl
  • Fatty acid
  • Pyrrolidine
  • Carboxamide group
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Slifenyl compound
  • Thioether
  • Secondary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Amine
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Carbonyl group
  • Organic oxide
  • Organic nitrogen compound
  • 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-2.46Extrapolated

    Predicted Properties

    Property Value Source Water Solubility2.04 mg/mLALOGPS logP-1.1ALOGPS logP-2.5ChemAxon logS-2.1ALOGPS pKa (Strongest Acidic)3.78ChemAxon pKa (Strongest Basic)9.81ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area78.43 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity62.45 m3·mol-1ChemAxon Polarizability25.72 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

    HMDB29023 Metagene Link

    HMDB29023 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Acelarin

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Pan Y, Bender PK, Akers RM, Webb KE Jr: Methionine-containing peptides can be used as methionine sources for protein accretion in cultured C2C12 and MAC-T cells. J Nutr. 1996 Jan;126(1):232-41. [PubMed:8558306 ]
    2. Danel C, Azaroual N, Chavaria C, Odou P, Martel B, Vaccher C: Comparative study of the complex forming ability and enantioselectivity of cyclodextrin polymers by CE and 1H NMR. Carbohydr Polym. 2013 Feb 15;92(2):2282-92. doi: 10.1016/j.carbpol.2012.11.095. Epub 2012 Dec 10. [PubMed:23399289 ]

    PMID: 10774780

    Last updated on