| Common Name |
Hydroxyprolyl-Glutamate
| Description |
Hydroxyprolyl-Glutamate is a dipeptide composed of hydroxyproline 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 |
MOLSDFPDBSMILESInChI
Structure for HMDB28862 (Hydroxyprolyl-Glutamate)
| Synonyms |
| Value |
Source |
Hydroxyproline glutamate dipeptideHMDB
HP-e DipeptideHMDB
HPE dipeptideHMDB
hpro-GluHMDB
Hydroxyproline-glutamate dipeptideHMDB
HydroxyprolylglutamateHMDB
L-Hydroxyprolyl-L-glutamateHMDB
| Chemical Formlia |
C10H15N2O6
| Average Molecliar Weight |
259.2359
| Monoisotopic Molecliar Weight |
259.093011222
| IUPAC Name |
4-carboxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoate
| Traditional Name |
4-carboxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoate
| CAS Registry Number |
Not Available
| SMILES |
OC1CNC(C1)C(=O)NC(CCC(O)=O)C([O-])=O
| InChI Identifier |
InChI=1S/C10H16N2O6/c13-5-3-7(11-4-5)9(16)12-6(10(17)18)1-2-8(14)15/h5-7,11,13H,1-4H2,(H,12,16)(H,14,15)(H,17,18)/p-1
| InChI Key |
ZVPLGKIMIRTBMQ-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
Hydroxy fatty acids
Heterocyclic fatty acids
Dicarboxylic acids and derivatives
Secondary carboxylic acid amides
Secondary alcohols
1,2-aminoalcohols
Amino acids
Azacyclic compounds
Dialkylamines
Carboxylic acids
Organopnictogen compounds
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
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-2-carboxamide
Pyrrolidine carboxylic acid or derivatives
Heterocyclic fatty acid
Hydroxy fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Pyrrolidine
1,2-aminoalcohol
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxylic acid
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Secondary amine
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic oxygen compound
Organopnictogen compound
Organooxygen compound
Organonitrogen 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-4.93Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility16.1 mg/mLALOGPS
logP-3.1ALOGPS
logP-4.9ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area138.79 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity68.31 m3·mol-1ChemAxon
Polarizability24.05 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 |
HMDB28862
| Metagene Link |
HMDB28862
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Glycoursodeoxycholic acid
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 1358655
