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Threoninyl-Serine

July 21, 2017
Common Name

Threoninyl-Serine Description

Threoninyl-Serine is a dipeptide composed of threonine 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 HMDB29070 (Threoninyl-Serine)

Synonyms

Value Source L-Threoninyl-L-serineHMDB T-S DipeptideHMDB THR-SerHMDB Threonine serine dipeptideHMDB Threonine-serine dipeptideHMDB ThreoninylserineHMDB TS DipeptideHMDB

Chemical Formlia

C7H14N2O5 Average Molecliar Weight

206.1965 Monoisotopic Molecliar Weight

206.090271568 IUPAC Name

2-(2-amino-3-hydroxybutanamido)-3-hydroxypropanoic acid Traditional Name

2-(2-amino-3-hydroxybutanamido)-3-hydroxypropanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)

InChI Key

GXDLGHLJTHMDII-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

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

    • Substituents

  • Alpha-dipeptide
  • 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 amide
  • Hydroxy acid
  • N-acyl-amine
  • Fatty acyl
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Alcohol
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Primary amine
  • 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-5.06Extrapolated

    Predicted Properties

    Property Value Source Water Solubility77.4 mg/mLALOGPS logP-3.1ALOGPS logP-5.1ChemAxon logS-0.43ALOGPS pKa (Strongest Acidic)3.41ChemAxon pKa (Strongest Basic)7.92ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area132.88 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity45.3 m3·mol-1ChemAxon Polarizability19.16 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

    HMDB29070 Metagene Link

    HMDB29070 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Podocarpic acid

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Yan Q, Lennarz WJ: Studies on the function of oligosaccharyl transferase subunits: a glycosylatable photoprobe binds to the luminal domain of Ost1p. Proc Natl Acad Sci U S A. 2002 Dec 10;99(25):15994-9. Epub 2002 Nov 20. [PubMed:12444261 ]
    2. Gomez P, Perez-Martinez P, Marin C, Camargo A, Yubero-Serrano EM, Garcia-Rios A, Rodriguez F, Delgado-Lista J, Perez-Jimenez F, Lopez-Miranda J: APOA1 and APOA4 gene polymorphisms influence the effects of dietary fat on LDL particle size and oxidation in healthy young adults. J Nutr. 2010 Apr;140(4):773-8. doi: 10.3945/jn.109.115964. Epub 2010 Feb 17. [PubMed:20164363 ]

    PMID: 17270739

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