| Common Name |
Hydroxyprolyl-Threonine
| Description |
Hydroxyprolyl-Threonine is a dipeptide composed of hydroxyproline 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 HMDB28873 (Hydroxyprolyl-Threonine)
| Synonyms |
| Value |
Source |
HP-T DipeptideHMDB
hpro-THRHMDB
HPT DipeptideHMDB
Hydroxyproline threonine dipeptideHMDB
Hydroxyproline-threonine dipeptideHMDB
HydroxyprolylthreonineHMDB
L-Hydroxyprolyl-L-threonineHMDB
| Chemical Formlia |
C9H16N2O5
| Average Molecliar Weight |
232.2337
| Monoisotopic Molecliar Weight |
232.105921632
| IUPAC Name |
3-hydroxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid
| Traditional Name |
3-hydroxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(NC(=O)C1CC(O)CN1)C(O)=O
| InChI Identifier |
InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-8(14)6-2-5(13)3-10-6/h4-7,10,12-13H,2-3H2,1H3,(H,11,14)(H,15,16)
| InChI Key |
HBWOJLKKRRLNRN-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid moleclies (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Peptides
| Alternative Parents |
N-acyl-alpha amino acids
Short-chain hydroxy acids and derivatives
Hydroxy fatty acids
Heterocyclic fatty acids
Beta hydroxy acids and derivatives
Pyrrolidines
Secondary alcohols
1,2-aminoalcohols
Amino acids
Propargyl-type 1,3-dipolar organic compounds
Monocarboxylic acids and derivatives
Azacyclic compounds
Dialkylamines
Carboxylic acids
Carboximidic acids
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Beta-hydroxy acid
Heterocyclic fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Hydroxy acid
Fatty acyl
Fatty acid
Pyrrolidine
1,2-aminoalcohol
Amino acid or derivatives
Amino acid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Organic oxygen compound
Hydrocarbon derivative
Amine
Organopnictogen compound
Organic oxide
Carbonyl group
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Alcohol
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-4.89Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility53.5 mg/mLALOGPS
logP-3.3ALOGPS
logP-4.9ChemAxon
logS-0.64ALOGPS
pKa (Strongest Acidic)3.43ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.89 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity52.64 m3·mol-1ChemAxon
Polarizability22.05 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 |
HMDB28873
| Metagene Link |
HMDB28873
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Brivudine
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Carpenter RD, Fettinger JC, Lam KS, Kurth MJ: Asymmetric catalysis: resin-bound hydroxyprolylthreonine derivatives in enamine-mediated reactions. Angew Chem Int Ed Engl. 2008;47(34):6407-10. doi: 10.1002/anie.200801811. [PubMed:18624312 ]
|
PMID: 1388278