| Common Name |
Prolyl-Serine
| Description |
Prolyl-Serine is a dipeptide composed of proline and serine. 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 HMDB29026 (Prolyl-Serine)
| Synonyms |
| Value |
Source |
L-Prolyl-L-serineHMDB
P-S DipeptideHMDB
pro-SerHMDB
Proline serine dipeptideHMDB
Proline-serine dipeptideHMDB
ProlylserineHMDB
PS DipeptideHMDB
| Chemical Formlia |
C8H14N2O4
| Average Molecliar Weight |
202.2078
| Monoisotopic Molecliar Weight |
202.095356946
| IUPAC Name |
3-hydroxy-2-(pyrrolidin-2-ylformamido)propanoic acid
| Traditional Name |
3-hydroxy-2-(pyrrolidin-2-ylformamido)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
OCC(NC(=O)C1CCCN1)C(O)=O
| InChI Identifier |
InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)
| InChI Key |
AFWBWPCXSWUCLB-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
Serine and derivatives
Alpha amino acid amides
Pyrrolidinecarboxamides
Beta hydroxy acids and derivatives
Secondary carboxylic acid amides
Amino acids
Azacyclic compounds
Monocarboxylic acids and derivatives
Dialkylamines
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
Primary alcohols
| Substituents |
Alpha-dipeptide
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Pyrrolidine-2-carboxamide
Pyrrolidine carboxylic acid or derivatives
Beta-hydroxy acid
Hydroxy acid
Pyrrolidine
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Alcohol
Organonitrogen compound
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
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-4.16Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility14.6 mg/mLALOGPS
logP-3.2ALOGPS
logP-4.2ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)9.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity46.91 m3·mol-1ChemAxon
Polarizability19.76 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 |
HMDB29026
| Metagene Link |
HMDB29026
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Cenicriviroc
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Akarca US, Greene S, Lok AS: Detection of precore hepatitis B virus mutants in asymptomatic HBsAg-positive family members. Hepatology. 1994 Jun;19(6):1366-70. [PubMed:8188166 ]
|
PMID: 23301527