Common Name |
Tryptophyl-Threonine
Description |
Tryptophyl-Threonine is a dipeptide composed of tryptophan 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 HMDB29093 (Tryptophyl-Threonine)
Synonyms |
Value |
Source |
L-Tryptophyl-L-threonineHMDB
TRP-THRHMDB
Tryptophan threonine dipeptideHMDB
Tryptophan-threonine dipeptideHMDB
TryptophylthreonineHMDB
W-T DipeptideHMDB
WT DipeptideHMDB
Chemical Formlia |
C15H19N3O4
Average Molecliar Weight |
305.3291
Monoisotopic Molecliar Weight |
305.137556111
IUPAC Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid
Traditional Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid
CAS Registry Number |
Not Available
SMILES |
CC(O)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O
InChI Identifier |
InChI=1S/C15H19N3O4/c1-8(19)13(15(21)22)18-14(20)11(16)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7-8,11,13,17,19H,6,16H2,1H3,(H,18,20)(H,21,22)
InChI Key |
YBRHKUNWEYBZGT-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
Tryptamines and derivatives
Alpha amino acid amides
3-alkylindoles
Aralkylamines
Beta hydroxy acids and derivatives
Substituted pyrroles
Benzenoids
Fatty amides
Heteroaromatic compounds
Secondary carboxylic acid amides
Amino acids
Secondary alcohols
Carboxylic acids
Monocarboxylic acids and derivatives
Azacyclic compounds
Monoalkylamines
Carbonyl compounds
Organic oxides
Organopnictogen compounds
Hydrocarbon derivatives
Substituents |
Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Beta-hydroxy acid
Aralkylamine
Fatty amide
Hydroxy acid
Substituted pyrrole
Fatty acyl
Benzenoid
Pyrrole
Heteroaromatic compound
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Primary amine
Organic oxide
Organic nitrogen compound
Alcohol
Primary aliphatic amine
Hydrocarbon derivative
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Amine
Organooxygen compound
Aromatic heteropolycyclic compound
Molecliar Framework |
Aromatic heteropolycyclic 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-2.25Extrapolated
Predicted Properties |
Property |
Value |
Source |
Water Solubility1.41 mg/mLALOGPS
logP-1.1ALOGPS
logP-2.3ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)3.62ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area128.44 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity79.46 m3·mol-1ChemAxon
Polarizability31.27 Å3ChemAxon
Number of Rings2ChemAxon
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 |
HMDB29093
Metagene Link |
HMDB29093
METLIN ID |
Not Available
PubChem Compound |
Not Available
PDB ID |
Not Available
ChEBI ID |
Not Available
Product: Nicainoprol
References |
Synthesis Reference |
Not Available |
Material Safety Data Sheet (MSDS) |
Not Available |
General References |
Not Available |
PMID: 7520908