| Common Name |
Prolyl-Glutamate
| Description |
Prolyl-Glutamate is a dipeptide composed of proline and glutamate. 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 HMDB29016 (Prolyl-Glutamate)
| Synonyms |
| Value |
Source |
L-Prolyl-L-glutamateHMDB
P-e DipeptideHMDB
PE dipeptideHMDB
pro-GluHMDB
Proline glutamate dipeptideHMDB
Proline-glutamate dipeptideHMDB
ProlylglutamateHMDB
| Chemical Formlia |
C10H15N2O5
| Average Molecliar Weight |
243.2365
| Monoisotopic Molecliar Weight |
243.0980966
| IUPAC Name |
4-carboxy-2-(pyrrolidin-2-ylformamido)butanoate
| Traditional Name |
4-carboxy-2-(pyrrolidin-2-ylformamido)butanoate
| CAS Registry Number |
Not Available
| SMILES |
OC(=O)CCC(NC(=O)C1CCCN1)C([O-])=O
| InChI Identifier |
InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/p-1
| InChI Key |
QLROSWPKSBORFJ-UHFFFAOYSA-M
| 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 |
Glutamic acid and derivatives
Proline and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Pyrrolidinecarboxamides
Heterocyclic fatty acids
Dicarboxylic acids and derivatives
Secondary carboxylic acid amides
Amino acids
Carboxylic acid salts
Dialkylamines
Carboxylic acids
Azacyclic compounds
Organic salts
Organopnictogen compounds
Carbonyl compounds
Organic oxides
Hydrocarbon derivatives
Organic anions
| Substituents |
Alpha-dipeptide
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Proline or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Pyrrolidine
Amino acid
Carboxylic acid salt
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Carboxylic acid
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Secondary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic salt
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organic anion
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 Solubility9.39 mg/mLALOGPS
logP-2.6ALOGPS
logP-3.7ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)3.3ChemAxon
pKa (Strongest Basic)9.81ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area118.56 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity66.99 m3·mol-1ChemAxon
Polarizability23.53 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 |
HMDB29016
| Metagene Link |
HMDB29016
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: NMS-P118
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 3872342