| Common Name |
Hydroxyprolyl-Valine
| Description |
Hydroxyprolyl-Valine is a dipeptide composed of hydroxyproline and valine. 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 HMDB28876 (Hydroxyprolyl-Valine)
| Synonyms |
| Value |
Source |
Hydroxyproline valine dipeptideHMDB
HP-V DipeptideHMDB
hpro-ValHMDB
HPV DipeptideHMDB
Hydroxyproline-valine dipeptideHMDB
HydroxyprolylvalineHMDB
L-Hydroxyprolyl-L-valineHMDB
| Chemical Formlia |
C10H18N2O4
| Average Molecliar Weight |
230.2609
| Monoisotopic Molecliar Weight |
230.126657074
| IUPAC Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-methylbutanoic acid
| Traditional Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-methylbutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(C)C(NC(=O)C1CC(O)CN1)C(O)=O
| InChI Identifier |
InChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)
| InChI Key |
OBSIPTVJSOCDLZ-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 |
Valine and derivatives
N-acyl-alpha amino acids
Heterocyclic fatty acids
Hydroxy fatty acids
Methyl-branched fatty acids
Pyrrolidines
Secondary alcohols
1,2-aminoalcohols
Amino acids
Propargyl-type 1,3-dipolar organic compounds
Azacyclic compounds
Carboximidic acids
Carboxylic acids
Monocarboxylic acids and derivatives
Dialkylamines
Organopnictogen compounds
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha peptide
Valine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Branched fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Methyl-branched fatty 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
Monocarboxylic acid or derivatives
Organoheterocyclic compound
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
Organonitrogen compound
Organooxygen compound
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-3.37Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility32.2 mg/mLALOGPS
logP-2.8ALOGPS
logP-3.4ChemAxon
logS-0.85ALOGPS
pKa (Strongest Acidic)3.69ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity55.68 m3·mol-1ChemAxon
Polarizability23.17 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 |
HMDB28876
| Metagene Link |
HMDB28876
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BI-847325
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 8646418