| Common Name |
Glutaminyl-Arginine
| Description |
Glutaminyl-Arginine is a dipeptide composed of glutamine and arginine. 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 |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB28791 (Glutaminyl-Arginine)
| Synonyms |
| Value |
Source |
GLN-ArgHMDB
Glutamine arginine dipeptideHMDB
Glutamine-arginine dipeptideHMDB
GlutaminylarginineHMDB
L-Glutaminyl-L-arginineHMDB
Q-R DipeptideHMDB
QR DipeptideHMDB
| Chemical Formlia |
C11H22N6O4
| Average Molecliar Weight |
302.3302
| Monoisotopic Molecliar Weight |
302.170253222
| IUPAC Name |
2-(2-amino-4-carbamoylbutanamido)-5-carbamimidamidopentanoic acid
| Traditional Name |
2-(2-amino-4-carbamoylbutanamido)-5-carbamimidamidopentanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(O)=O
| InChI Identifier |
InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)
| InChI Key |
OPINTGHFESTVAX-UHFFFAOYSA-N
| 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
N-acyl-alpha amino acids
Alpha amino acid amides
N-acyl amines
Fatty acids and conjugates
Secondary carboxylic acid amides
Primary carboxylic acid amides
Amino acids
Guanidines
Propargyl-type 1,3-dipolar organic compounds
Monocarboxylic acids and derivatives
Carboximidamides
Carboxylic acids
Hydrocarbon derivatives
Monoalkylamines
Carbonyl compounds
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Fatty amide
N-acyl-amine
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid
Amino acid or derivatives
Carboxamide group
Guanidine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Organic nitrogen compound
Primary aliphatic amine
Organopnictogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic oxygen compound
Amine
Hydrocarbon derivative
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-4.84Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.43 mg/mLALOGPS
logP-3.8ALOGPS
logP-4.8ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)3.55ChemAxon
pKa (Strongest Basic)12.09ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area197.41 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity83.83 m3·mol-1ChemAxon
Polarizability30.8 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 |
HMDB28791
| Metagene Link |
HMDB28791
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: CHZ868
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 7492268