| Common Name |
Threoninyl-Glutamate
| Description |
Threoninyl-Glutamate is a dipeptide composed of threonine 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 HMDB29060 (Threoninyl-Glutamate)
| Synonyms |
| Value |
Source |
L-Threoninyl-L-glutamateHMDB
T-e DipeptideHMDB
TE dipeptideHMDB
THR-GluHMDB
Threonine glutamate dipeptideHMDB
Threonine-glutamate dipeptideHMDB
ThreoninylglutamateHMDB
| Chemical Formlia |
C9H15N2O6
| Average Molecliar Weight |
247.2252
| Monoisotopic Molecliar Weight |
247.093011222
| IUPAC Name |
2-(2-amino-3-hydroxybutanamido)-4-carboxybutanoate
| Traditional Name |
2-(2-amino-3-hydroxybutanamido)-4-carboxybutanoate
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(N)C(=O)NC(CCC(O)=O)C([O-])=O
| InChI Identifier |
InChI=1S/C9H16N2O6/c1-4(12)7(10)8(15)11-5(9(16)17)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1
| InChI Key |
BECPPKYKPSRKCP-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
N-acyl-alpha amino acids
Alpha amino acid amides
N-acyl amines
Dicarboxylic acids and derivatives
Fatty acids and conjugates
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Carboxylic acids
Organopnictogen compounds
Hydrocarbon derivatives
Monoalkylamines
Carbonyl compounds
Organic oxides
Organic anions
| Substituents |
Alpha-dipeptide
Glutamic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid
Hydrocarbon derivative
Organic nitrogen compound
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Carbonyl group
Alcohol
Organonitrogen compound
Organooxygen compound
Primary amine
Organic oxygen compound
Amine
Organic anion
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic 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-4.67Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility50.8 mg/mLALOGPS
logP-3.1ALOGPS
logP-4.7ChemAxon
logS-0.72ALOGPS
pKa (Strongest Acidic)3.23ChemAxon
pKa (Strongest Basic)7.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area152.78 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity65.38 m3·mol-1ChemAxon
Polarizability23.05 Å3ChemAxon
Number of Rings0ChemAxon
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 |
HMDB29060
| Metagene Link |
HMDB29060
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Paeonol
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 1908521
