| Common Name |
Threoninyl-Asparagine
| Description |
Threoninyl-Asparagine is a dipeptide composed of threonine and asparagine. 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 HMDB29056 (Threoninyl-Asparagine)
| Synonyms |
| Value |
Source |
L-Threoninyl-L-asparagineHMDB
T-N DipeptideHMDB
THR-AsnHMDB
Threonine asparagine dipeptideHMDB
Threonine-asparagine dipeptideHMDB
ThreoninylasparagineHMDB
TN DipeptideHMDB
| Chemical Formlia |
C8H15N3O5
| Average Molecliar Weight |
233.2218
| Monoisotopic Molecliar Weight |
233.101170605
| IUPAC Name |
2-(2-amino-3-hydroxybutanamido)-3-carbamoylpropanoic acid
| Traditional Name |
2-(2-amino-3-hydroxybutanamido)-3-carbamoylpropanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(N)C(=O)NC(CC(N)=O)C(O)=O
| InChI Identifier |
InChI=1S/C8H15N3O5/c1-3(12)6(10)7(14)11-4(8(15)16)2-5(9)13/h3-4,6,12H,2,10H2,1H3,(H2,9,13)(H,11,14)(H,15,16)
| InChI Key |
UQTNIFUCMBFWEJ-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 |
Asparagine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
N-acyl amines
Fatty acids and conjugates
Secondary carboxylic acid amides
Secondary alcohols
Primary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Organic oxides
Carbonyl compounds
Organopnictogen compounds
Monoalkylamines
Hydrocarbon derivatives
| Substituents |
Alpha-dipeptide
Asparagine or derivatives
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
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Primary carboxylic acid amide
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
Organonitrogen compound
Organooxygen compound
Primary amine
Organic oxygen compound
Amine
Alcohol
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-5.46Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility18.9 mg/mLALOGPS
logP-3.2ALOGPS
logP-5.5ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.42ChemAxon
pKa (Strongest Basic)7.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.74 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.61 m3·mol-1ChemAxon
Polarizability21.52 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 |
HMDB29056
| Metagene Link |
HMDB29056
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BET-BAY 002 (S enantiomer)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Tamaddoni A, Hadavi V, Nejad NH, Khosh-Ain A, Siami R, Aghai-Meibodi J, Almadani N, Oberkanins C, Law HY, Najmabadi H: alpha-Thalassemia mutation analyses in Mazandaran province, North Iran. Hemoglobin. 2009;33(2):115-23. doi: 10.1080/03630260902817297. [PubMed:19373587 ]
|
PMID: 9542727