| Common Name |
Threoninyl-Lysine
| Description |
Threoninyl-Lysine is a dipeptide composed of threonine and lysine. 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 HMDB29066 (Threoninyl-Lysine)
| Synonyms |
| Value |
Source |
L-Threoninyl-L-lysineHMDB
T-K DipeptideHMDB
THR-LysHMDB
Threonine lysine dipeptideHMDB
Threonine-lysine dipeptideHMDB
ThreoninyllysineHMDB
TK DipeptideHMDB
| Chemical Formlia |
C10H21N3O4
| Average Molecliar Weight |
247.2914
| Monoisotopic Molecliar Weight |
247.153206175
| IUPAC Name |
6-amino-2-(2-amino-3-hydroxybutanamido)hexanoic acid
| Traditional Name |
6-amino-2-(2-amino-3-hydroxybutanamido)hexanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(N)C(=O)NC(CCCCN)C(O)=O
| InChI Identifier |
InChI=1S/C10H21N3O4/c1-6(14)8(12)9(15)13-7(10(16)17)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)
| InChI Key |
YKRQRPFODDJQTC-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
Alpha amino acid amides
Medium-chain fatty acids
Amino fatty acids
Hydroxy fatty acids
N-acyl amines
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Hydrocarbon derivatives
Carbonyl compounds
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
Hydroxy fatty acid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxamide group
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Primary aliphatic amine
Organic oxide
Alcohol
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Amine
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Primary amine
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-4.26Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility22.1 mg/mLALOGPS
logP-3.3ALOGPS
logP-4.2ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.74ChemAxon
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area138.67 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity61.07 m3·mol-1ChemAxon
Polarizability26.11 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 |
HMDB29066
| Metagene Link |
HMDB29066
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: SF1670
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Gorbalenya AE, Donchenko AP, Blinov VM, Koonin EV: Cysteine proteases of positive strand RNA viruses and chymotrypsin-like serine proteases. A distinct protein superfamily with a common structural fold. FEBS Lett. 1989 Jan 30;243(2):103-14. [PubMed:2645167 ]
|
PMID: 25446678
