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Histidinyl-Threonine

July 21, 2017
Common Name

Histidinyl-Threonine Description

Histidinyl-Threonine is a dipeptide composed of histidine and threonine. 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 HMDB28895 (Histidinyl-Threonine)

Synonyms

Value Source H-T DipeptideHMDB His-THRHMDB Histidine threonine dipeptideHMDB Histidine-threonine dipeptideHMDB HistidinylthreonineHMDB HT DipeptideHMDB L-Histidinyl-L-threonineHMDB

Chemical Formlia

C10H16N4O4 Average Molecliar Weight

256.2584 Monoisotopic Molecliar Weight

256.11715502 IUPAC Name

2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanoic acid Traditional Name

2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid CAS Registry Number

Not Available SMILES

CC(O)C(NC(=O)C(N)CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C10H16N4O4/c1-5(15)8(10(17)18)14-9(16)7(11)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)

InChI Key

WRPDZHJNLYNFFT-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

  • Histidine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • Beta hydroxy acids and derivatives
  • Fatty amides
  • Heteroaromatic compounds
  • Secondary alcohols
  • Amino acids
  • Secondary carboxylic acid amides
  • Carboxylic acids
  • Azacyclic compounds
  • Monocarboxylic acids and derivatives
  • Monoalkylamines
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Organic oxides

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Beta-hydroxy acid
  • Aralkylamine
  • Fatty amide
  • Hydroxy acid
  • Fatty acyl
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organoheterocyclic compound
  • Azacycle
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic 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-4.54Extrapolated

    Predicted Properties

    Property Value Source Water Solubility21.0 mg/mLALOGPS logP-2.8ALOGPS logP-4.5ChemAxon logS-1.1ALOGPS pKa (Strongest Acidic)3.31ChemAxon pKa (Strongest Basic)8.02ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area141.33 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity61.32 m3·mol-1ChemAxon Polarizability24.87 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

    HMDB28895 Metagene Link

    HMDB28895 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: ML-098

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

    PMID: 3207999

    Last updated on