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Threoninyl-Glycine

July 21, 2017
Common Name

Threoninyl-Glycine Description

Threoninyl-Glycine is a dipeptide composed of threonine and glycine. 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 HMDB29061 (Threoninyl-Glycine)

Synonyms

Value Source L-Threoninyl-L-glycineHMDB T-g DipeptideHMDB TG DipeptideHMDB THR-GlyHMDB Threonine glycine dipeptideHMDB Threonine-glycine dipeptideHMDB ThreoninylglycineHMDB Threonyl-glycineMeSH

Chemical Formlia

C6H12N2O4 Average Molecliar Weight

176.1705 Monoisotopic Molecliar Weight

176.079706882 IUPAC Name

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

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

Not Available SMILES

CC(O)C(N)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C6H12N2O4/c1-3(9)5(7)6(12)8-2-4(10)11/h3,5,9H,2,7H2,1H3,(H,8,12)(H,10,11)

InChI Key

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

    • Substituents

  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Organic oxygen compound
  • 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-4.58Extrapolated

    Predicted Properties

    Property Value Source Water Solubility74.9 mg/mLALOGPS logP-3ALOGPS logP-4.6ChemAxon logS-0.37ALOGPS pKa (Strongest Acidic)3.56ChemAxon pKa (Strongest Basic)7.92ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area112.65 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity39.26 m3·mol-1ChemAxon Polarizability16.67 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

    HMDB29061 Metagene Link

    HMDB29061 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Tanshinone IIA

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Shi Y, Beger RD, Berg JM: Metal binding properties of single amino acid deletion mutants of zinc finger peptides: studies using cobalt(II) as a spectroscopic probe. Biophys J. 1993 Mar;64(3):749-53. [PubMed:8471726 ]
    2. Li D, Yu H, Huang H, Shen F, Wu X, Li J, Wang J, Cao X, Wang Q, Tang G: FGF receptor-mediated gene delivery using ligands coupled to polyethylenimine. J Biomater Appl. 2007 Sep;22(2):163-80. Epub 2007 Jan 25. [PubMed:17255154 ]

    PMID: 7498311

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