| 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