| Common Name |
Asparaginyl-Gamma-glutamate
| Description |
Asparaginyl-Gamma-glutamate is a dipeptide composed of asparagine 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 HMDB28745 (Asparaginyl-Gamma-glutamate)
| Synonyms |
| Value |
Source |
Asn-ggluHMDB
Asparagine gamma-glutamate dipeptideHMDB
Asparagine-gamma-glutamate dipeptideHMDB
Asparaginylgamma-glutamateHMDB
L-Asparaginyl-L-gamma-glutamateHMDB
N-GE dipeptideHMDB
NGE dipeptideHMDB
| Chemical Formlia |
C9H16N4O5
| Average Molecliar Weight |
260.2471
| Monoisotopic Molecliar Weight |
260.112069642
| IUPAC Name |
2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid
| Traditional Name |
2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O
| InChI Identifier |
InChI=1S/C9H16N4O5/c10-4(9(17)18)1-2-7(15)13-8(16)5(11)3-6(12)14/h4-5H,1-3,10-11H2,(H2,12,14)(H,17,18)(H,13,15,16)
| InChI Key |
CXTYHSFBRYPJED-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 |
Asparagine and derivatives
Alpha amino acid amides
Alpha amino acids
N-acyl amines
Fatty acids and conjugates
N-unsubstituted carboxylic acid imides
Dicarboximides
Primary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Glutamine or derivatives
Asparagine or derivatives
Alpha-amino acid amide
Alpha-amino acid
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Carboxamide group
Amino acid
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Organooxygen 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-5.91Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility4.28 mg/mLALOGPS
logP-3.4ALOGPS
logP-5.8ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)2.02ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area178.6 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity58.39 m3·mol-1ChemAxon
Polarizability24.64 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 |
HMDB28745
| Metagene Link |
HMDB28745
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Setmelanotide
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 25249058
