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Prolyl-Serine

July 21, 2017
Common Name

Prolyl-Serine Description

Prolyl-Serine is a dipeptide composed of proline and serine. 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 HMDB29026 (Prolyl-Serine)

Synonyms

Value Source L-Prolyl-L-serineHMDB P-S DipeptideHMDB pro-SerHMDB Proline serine dipeptideHMDB Proline-serine dipeptideHMDB ProlylserineHMDB PS DipeptideHMDB

Chemical Formlia

C8H14N2O4 Average Molecliar Weight

202.2078 Monoisotopic Molecliar Weight

202.095356946 IUPAC Name

3-hydroxy-2-(pyrrolidin-2-ylformamido)propanoic acid Traditional Name

3-hydroxy-2-(pyrrolidin-2-ylformamido)propanoic acid CAS Registry Number

Not Available SMILES

OCC(NC(=O)C1CCCN1)C(O)=O

InChI Identifier

InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)

InChI Key

AFWBWPCXSWUCLB-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
  • Serine and derivatives
  • Alpha amino acid amides
  • Pyrrolidinecarboxamides
  • Beta hydroxy acids and derivatives
  • Secondary carboxylic acid amides
  • Amino acids
  • Azacyclic compounds
  • Monocarboxylic acids and derivatives
  • Dialkylamines
  • Carboxylic acids
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Organic oxides
  • Organopnictogen compounds
  • Primary alcohols

    • Substituents

  • Alpha-dipeptide
  • Proline or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine carboxylic acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyrrolidine
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Secondary aliphatic amine
  • Secondary amine
  • Organoheterocyclic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • 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-4.16Extrapolated

    Predicted Properties

    Property Value Source Water Solubility14.6 mg/mLALOGPS logP-3.2ALOGPS logP-4.2ChemAxon logS-1.1ALOGPS pKa (Strongest Acidic)3.5ChemAxon pKa (Strongest Basic)9.8ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area98.66 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity46.91 m3·mol-1ChemAxon Polarizability19.76 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

    HMDB29026 Metagene Link

    HMDB29026 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Cenicriviroc

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Akarca US, Greene S, Lok AS: Detection of precore hepatitis B virus mutants in asymptomatic HBsAg-positive family members. Hepatology. 1994 Jun;19(6):1366-70. [PubMed:8188166 ]

    PMID: 23301527

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