| Common Name |
Glutaminyl-Glutamate
| Description |
Glutaminyl-Glutamate is a dipeptide composed of glutamine 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 HMDB28796 (Glutaminyl-Glutamate)
| Synonyms |
| Value |
Source |
GLN-GluHMDB
Glutamine glutamate dipeptideHMDB
Glutamine-glutamate dipeptideHMDB
GlutaminylglutamateHMDB
L-Glutaminyl-L-glutamateHMDB
Q-e DipeptideHMDB
QE dipeptideHMDB
| Chemical Formlia |
C10H16N3O6
| Average Molecliar Weight |
274.2505
| Monoisotopic Molecliar Weight |
274.103910259
| IUPAC Name |
2-(2-amino-4-carbamoylbutanamido)-4-carboxybutanoate
| Traditional Name |
2-(2-amino-4-carbamoylbutanamido)-4-carboxybutanoate
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C([O-])=O
| InChI Identifier |
InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/p-1
| InChI Key |
OWOFCNWTMWOOJJ-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 |
Glutamine and derivatives
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
Primary carboxylic acid amides
Amino acids
Carboxylic acids
Organopnictogen compounds
Hydrocarbon derivatives
Monoalkylamines
Carbonyl compounds
Organic oxides
Organic anions
| Substituents |
Alpha-dipeptide
Glutamine or derivatives
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acyl-amine
Fatty amide
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Amino acid or derivatives
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid
Carboxamide group
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen 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-5.18Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility14.3 mg/mLALOGPS
logP-3.4ALOGPS
logP-5.2ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area175.64 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity72.03 m3·mol-1ChemAxon
Polarizability25.85 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 |
HMDB28796
| Metagene Link |
HMDB28796
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Docosatrienoic Acid
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 16614734
