Threoninyl-Phenylalanine | Reverse transcriptase reverse-transcriptase.com

Common Name

Threoninyl-Phenylalanine Description

Threoninyl-Phenylalanine is a dipeptide composed of threonine and phenylalanine. 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 HMDB29068 (Threoninyl-Phenylalanine)

Synonyms

Value Source L-Threoninyl-L-phenylalanineHMDB T-F DipeptideHMDB TF DipeptideHMDB THR-PheHMDB Threonine phenylalanine dipeptideHMDB Threonine-phenylalanine dipeptideHMDB ThreoninylphenylalanineHMDB

Chemical Formlia

C₁₃H₁₈N₂O₄ Average Molecliar Weight

266.293 Monoisotopic Molecliar Weight

266.126657074 IUPAC Name

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

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

Not Available SMILES

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

InChI Identifier

InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)

InChI Key

IQHUITKNHOKGFC-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

Phenylalanine and derivatives

N-acyl-alpha amino acids

Alpha amino acid amides

Phenylpropanoic acids

Amphetamines and derivatives

N-acyl amines

Secondary carboxylic acid amides

Amino acids

Secondary alcohols

Carboxylic acid salts

Monocarboxylic acids and derivatives

Carboxylic acids

Monoalkylamines

Hydrocarbon derivatives

Carbonyl compounds

Organopnictogen compounds

Organic zwitterions

Organic oxides

Organic salts

Substituents

Alpha-dipeptide

Phenylalanine or derivatives

N-acyl-alpha-amino acid

N-acyl-alpha amino acid or derivatives

Alpha-amino acid amide

3-phenylpropanoic-acid

Alpha-amino acid or derivatives

Amphetamine or derivatives

Monocyclic benzene moiety

Fatty amide

N-acyl-amine

Fatty acyl

Benzenoid

Amino acid or derivatives

Carboxamide group

Carboxylic acid salt

Amino acid

Secondary carboxylic acid amide

Secondary alcohol

Carboxylic acid

Monocarboxylic acid or derivatives

Organopnictogen compound

Hydrocarbon derivative

Primary aliphatic amine

Amine

Organic salt

Organic oxygen compound

Organic nitrogen compound

Carbonyl group

Organic oxide

Organic zwitterion

Organonitrogen compound

Organooxygen compound

Alcohol

Primary amine

Aromatic homomonocyclic compound

Molecliar Framework

Aromatic homomonocyclic compounds External Descriptors

Not Available Ontology Status

Detected 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-2.35Extrapolated

Predicted Properties

Property Value Source Water Solubility4.2 mg/mLALOGPS logP-1.4ALOGPS logP-2.4ChemAxon logS-1.8ALOGPS pKa (Strongest Acidic)3.71ChemAxon pKa (Strongest Basic)7.92ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area112.65 Å²ChemAxon Rotatable Bond Count6ChemAxon Refractivity68.38 m³·mol^-1ChemAxon Polarizability27.29 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

Saliva

Tissue Location

Not Available Pathways

Not Available Normal Concentrations

Biofluid Status Value Age Sex Condition Reference Details SalivaDetected but not Quantified Adlit (>18 years old)Male

Normal

22308371