| Common Name |
Hydroxyprolyl-Alanine
| Description |
Hydroxyprolyl-Alanine is a dipeptide composed of hydroxyproline and alanine. 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 HMDB28856 (Hydroxyprolyl-Alanine)
| Synonyms |
| Value |
Source |
Hydroxyproline alanine dipeptideHMDB
HP-a DipeptideHMDB
HPA dipeptideHMDB
hpro-AlaHMDB
Hydroxyproline-alanine dipeptideHMDB
HydroxyprolylalanineHMDB
L-Hydroxyprolyl-L-alanineHMDB
| Chemical Formlia |
C8H14N2O4
| Average Molecliar Weight |
202.2078
| Monoisotopic Molecliar Weight |
202.095356946
| IUPAC Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid
| Traditional Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(NC(=O)C1CC(O)CN1)C(O)=O
| InChI Identifier |
InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14)
| InChI Key |
PHMGRHJWVYZMPA-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
Alanine and derivatives
Pyrrolidines
Secondary alcohols
1,2-aminoalcohols
Amino acids
Propargyl-type 1,3-dipolar organic compounds
Monocarboxylic acids and derivatives
Dialkylamines
Carboxylic acids
Carboximidic acids
Azacyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alanine or derivatives
Alpha-amino acid or derivatives
Pyrrolidine
1,2-aminoalcohol
Amino acid or derivatives
Amino acid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Secondary amine
Propargyl-type 1,3-dipolar organic compound
Organic oxygen compound
Amine
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Carbonyl group
Organic nitrogen 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-4.25Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility23.4 mg/mLALOGPS
logP-3.2ALOGPS
logP-4.3ChemAxon
logS-0.94ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.68 m3·mol-1ChemAxon
Polarizability19.71 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 |
HMDB28856
| Metagene Link |
HMDB28856
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BGB-283
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 9503258