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Methionyl-Serine

July 21, 2017
Common Name

Methionyl-Serine Description

Methionyl-Serine is a dipeptide composed of methionine 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 HMDB28982 (Methionyl-Serine)

Synonyms

Value Source L-Methionyl-L-serineHMDB m-S DipeptideHMDB Met-serHMDB Methionine serine dipeptideHMDB Methionine-serine dipeptideHMDB MethionylserineHMDB MS DipeptideHMDB

Chemical Formlia

C8H16N2O4S Average Molecliar Weight

236.289 Monoisotopic Molecliar Weight

236.0830777 IUPAC Name

2-[2-amino-4-(methylslifanyl)butanamido]-3-hydroxypropanoic acid Traditional Name

2-[2-amino-4-(methylslifanyl)butanamido]-3-hydroxypropanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C8H16N2O4S/c1-15-3-2-5(9)7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)

InChI Key

WEDDFMCSUNNZJR-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
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Serine and derivatives
  • Beta hydroxy acids and derivatives
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Carboxylic acids
  • Dialkylthioethers
  • Monocarboxylic acids and derivatives
  • Organopnictogen compounds
  • Primary alcohols
  • Hydrocarbon derivatives
  • Organic oxides
  • Monoalkylamines
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Methionine 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
  • Beta-hydroxy acid
  • Fatty acyl
  • Fatty amide
  • Hydroxy acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Dialkylthioether
  • Slifenyl compound
  • Monocarboxylic acid or derivatives
  • Thioether
  • Amine
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Primary alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • 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-3.78Extrapolated

    Predicted Properties

    Property Value Source Water Solubility10.3 mg/mLALOGPS logP-2.3ALOGPS logP-3.8ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)3.6ChemAxon pKa (Strongest Basic)8.42ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area112.65 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity56.43 m3·mol-1ChemAxon Polarizability24.09 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

    HMDB28982 Metagene Link

    HMDB28982 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Etrasimod

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

    PMID: 11454663

    Last updated on