| Common Name |
Valyl-Threonine
| Description |
Valyl-Threonine is a dipeptide composed of valine 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 HMDB29137 (Valyl-Threonine)
| Synonyms |
| Value |
Source |
L-Valyl-L-threonineHMDB
V-T DipeptideHMDB
Val-THRHMDB
Valine threonine dipeptideHMDB
Valine-threonine dipeptideHMDB
ValylthreonineHMDB
VT DipeptideHMDB
| Chemical Formlia |
C9H18N2O4
| Average Molecliar Weight |
218.2502
| Monoisotopic Molecliar Weight |
218.126657074
| IUPAC Name |
2-(2-amino-3-methylbutanamido)-3-hydroxybutanoic acid
| Traditional Name |
2-(2-amino-3-methylbutanamido)-3-hydroxybutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(C)C(N)C(=O)NC(C(C)O)C(O)=O
| InChI Identifier |
InChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
| InChI Key |
GVRKWABULJAONN-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 |
Valine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Short-chain hydroxy acids and derivatives
Beta hydroxy acids and derivatives
Hydroxy fatty acids
Branched fatty acids
N-acyl amines
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Valine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Beta-hydroxy acid
Branched fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Fatty amide
Hydroxy acid
N-acyl-amine
Fatty acyl
Fatty acid
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Amine
Organic nitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Primary amine
Organic oxygen compound
Organonitrogen compound
Primary aliphatic 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-3.12Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility73.3 mg/mLALOGPS
logP-2.2ALOGPS
logP-3.1ChemAxon
logS-0.47ALOGPS
pKa (Strongest Acidic)3.73ChemAxon
pKa (Strongest Basic)8.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity52.75 m3·mol-1ChemAxon
Polarizability22.13 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 |
HMDB29137
| Metagene Link |
HMDB29137
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Basmisanil
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Booth DR, Tan SY, Booth SE, Tennent GA, Hutchinson WL, Hsuan JJ, Totty NF, Truong O, Soutar AK, Hawkins PN, Bruguera M, Caballeria J, Sole M, Campistol JM, Pepys MB: Hereditary hepatic and systemic amyloidosis caused by a new deletion/insertion mutation in the apolipoprotein AI gene. J Clin Invest. 1996 Jun 15;97(12):2714-21. [PubMed:8675681 ]
|
PMID: 7912626