| Common Name |
Prolyl-Threonine
| Description |
Prolyl-Threonine is a dipeptide composed of proline 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 HMDB29027 (Prolyl-Threonine)
| Synonyms |
| Value |
Source |
L-Prolyl-L-threonineHMDB
P-T DipeptideHMDB
pro-THRHMDB
Proline threonine dipeptideHMDB
Proline-threonine dipeptideHMDB
ProlylthreonineHMDB
PT DipeptideHMDB
| Chemical Formlia |
C9H16N2O4
| Average Molecliar Weight |
216.2343
| Monoisotopic Molecliar Weight |
216.11100701
| IUPAC Name |
3-hydroxy-2-(pyrrolidin-2-ylformamido)butanoic acid
| Traditional Name |
3-hydroxy-2-(pyrrolidin-2-ylformamido)butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(NC(=O)C1CCCN1)C(O)=O
| InChI Identifier |
InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
| InChI Key |
GVUVRRPYYDHHGK-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 |
Proline and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Pyrrolidinecarboxamides
Short-chain hydroxy acids and derivatives
Hydroxy fatty acids
Heterocyclic fatty acids
Beta hydroxy acids and derivatives
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Monocarboxylic acids and derivatives
Azacyclic compounds
Dialkylamines
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Beta-hydroxy acid
Heterocyclic fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Hydroxy acid
Fatty acyl
Fatty acid
Pyrrolidine
Secondary alcohol
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Secondary amine
Carboxylic acid
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Carbonyl group
Organopnictogen compound
Organic oxide
Alcohol
Organonitrogen compound
Amine
Hydrocarbon derivative
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic 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-3.74Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility26.4 mg/mLALOGPS
logP-2.8ALOGPS
logP-3.7ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)3.58ChemAxon
pKa (Strongest Basic)9.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity51.32 m3·mol-1ChemAxon
Polarizability21.38 Å3ChemAxon
Number of Rings1ChemAxon
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 |
HMDB29027
| Metagene Link |
HMDB29027
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Upadacitinib
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Hara Y, Kanagawa M, Kunz S, Yoshida-Moriguchi T, Satz JS, Kobayashi YM, Zhu Z, Burden SJ, Oldstone MB, Campbell KP: Like-acetylglucosaminyltransferase (LARGE)-dependent modification of dystroglycan at Thr-317/319 is required for laminin binding and arenavirus infection. Proc Natl Acad Sci U S A. 2011 Oct 18;108(42):17426-31. doi: 10.1073/pnas.1114836108. Epub 2011 Oct 10. [PubMed:21987822 ]
- Kim Y, Song J, Mays CE, Titlow W, Yoon D, Ryou C: Changes in gene expression of kringle domain-containing proteins in murine brains and neuroblastoma cells infected by prions. Mol Cell Biochem. 2009 Aug;328(1-2):177-82. doi: 10.1007/s11010-009-0087-4. Epub 2009 Mar 26. [PubMed:19322640 ]
|
PMID: 7940991
