| Common Name |
Isoleucyl-Gamma-glutamate
| Description |
Isoleucyl-Gamma-glutamate is a dipeptide composed of isoleucine 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 HMDB28921 (Isoleucyl-Gamma-glutamate)
| Synonyms |
| Value |
Source |
I-ge dipeptideHMDB
IGE dipeptideHMDB
Ile-ggluHMDB
Isoleucine gamma-glutamate dipeptideHMDB
Isoleucine-gamma-glutamate dipeptideHMDB
Isoleucylgamma-glutamateHMDB
L-Isoleucyl-L-gamma-glutamateHMDB
| Chemical Formlia |
C11H21N3O4
| Average Molecliar Weight |
259.3021
| Monoisotopic Molecliar Weight |
259.153206175
| IUPAC Name |
2-amino-5-(2-amino-3-methylpentanamido)-5-oxopentanoic acid
| Traditional Name |
2-amino-5-(2-amino-3-methylpentanamido)-5-oxopentanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CCC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O
| InChI Identifier |
InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-8(15)5-4-7(12)11(17)18/h6-7,9H,3-5,12-13H2,1-2H3,(H,17,18)(H,14,15,16)
| InChI Key |
PFUZINYUQIJPNG-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 |
Isoleucine and derivatives
Alpha amino acid amides
Alpha amino acids
Branched fatty acids
N-acyl amines
N-unsubstituted carboxylic acid imides
Dicarboximides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Glutamine or derivatives
Isoleucine or derivatives
Alpha-amino acid amide
Alpha-amino acid
Branched fatty acid
N-acyl-amine
Fatty acyl
Fatty acid
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Organonitrogen compound
Primary amine
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Organooxygen 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-3.16Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility3.96 mg/mLALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)1.85ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area135.51 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity64.13 m3·mol-1ChemAxon
Polarizability27 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 |
HMDB28921
| Metagene Link |
HMDB28921
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: (Z)-Mutagenic Impurity of Tenofovir Disoproxil
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 28300552
