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Serinyl-Tyrosine

July 21, 2017
Common Name

Serinyl-Tyrosine Description

Serinyl-Tyrosine is a dipeptide composed of serine and tyrosine. 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 HMDB29051 (Serinyl-Tyrosine)

Synonyms

Value Source L-Serinyl-L-tyrosineHMDB S-Y dipeptideHMDB Ser-tyrHMDB Serine tyrosine dipeptideHMDB Serine-tyrosine dipeptideHMDB SerinyltyrosineHMDB SY dipeptideHMDB

Chemical Formlia

C12H16N2O5 Average Molecliar Weight

268.2658 Monoisotopic Molecliar Weight

268.105921632 IUPAC Name

2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanoic acid Traditional Name

2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanoic acid CAS Registry Number

Not Available SMILES

NC(CO)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)

InChI Key

MALNXHYEPCSPPU-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

  • Tyrosine and derivatives
  • Phenylalanine and derivatives
  • N-acyl-alpha amino acids
  • Serine and derivatives
  • Alpha amino acid amides
  • Phenylpropanoic acids
  • Amphetamines and derivatives
  • 1-hydroxy-2-unsubstituted benzenoids
  • Amino acids
  • Secondary carboxylic acid amides
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Primary alcohols
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Primary alcohol
  • Amine
  • Alcohol
  • Primary amine
  • Aromatic homomonocyclic compound

    • Molecliar Framework

    Aromatic homomonocyclic 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-3.07Extrapolated

    Predicted Properties

    Property Value Source Water Solubility3.23 mg/mLALOGPS logP-2.4ALOGPS logP-3.1ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)3.36ChemAxon pKa (Strongest Basic)7.84ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area132.88 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity65.94 m3·mol-1ChemAxon Polarizability26.55 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

    HMDB29051 Metagene Link

    HMDB29051 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: INT-777 (R-enantiomer)

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

    PMID: 16632354

    Last updated on