| Common Name |
Aspartyl-Gamma-glutamate
| Description |
Aspartyl-Gamma-glutamate is a dipeptide composed of aspartate and gamma-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 HMDB28767 (Aspartyl-Gamma-glutamate)
| Synonyms |
| Value |
Source |
Asp-ggluHMDB
Aspartate gamma-glutamate dipeptideHMDB
Aspartate-gamma-glutamate dipeptideHMDB
Aspartylgamma-glutamateHMDB
D-GE dipeptideHMDB
DGE dipeptideHMDB
L-Aspartyl-L-gamma-glutamateHMDB
| Chemical Formlia |
C9H15N3O6
| Average Molecliar Weight |
261.2319
| Monoisotopic Molecliar Weight |
261.096085227
| IUPAC Name |
2-amino-4-[(2-amino-3-carboxypropanoyl)carbamoyl]butanoic acid
| Traditional Name |
2-amino-4-[(2-amino-3-carboxypropanoyl)carbamoyl]butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(=O)NC(=O)C(N)CC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C9H15N3O6/c10-4(9(17)18)1-2-6(13)12-8(16)5(11)3-7(14)15/h4-5H,1-3,10-11H2,(H,14,15)(H,17,18)(H,12,13,16)
| InChI Key |
BEVYCXGDASRHRK-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resliting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Glutamine and derivatives
| Alternative Parents |
Aspartic acid and derivatives
Alpha amino acid amides
Alpha amino acids
N-acyl amines
Fatty acids and conjugates
Dicarboxylic acids and derivatives
N-unsubstituted carboxylic acid imides
Dicarboximides
Amino acids
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Glutamine or derivatives
Aspartic acid or derivatives
Alpha-amino acid amide
Alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
N-acyl-amine
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Amino acid
Carboxylic acid
Organooxygen compound
Primary amine
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
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-6.16Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility6.3 mg/mLALOGPS
logP-3.9ALOGPS
logP-7.2ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area172.81 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity56.56 m3·mol-1ChemAxon
Polarizability24.2 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 |
HMDB28767
| Metagene Link |
HMDB28767
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Rolapitant
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 9489509
