| Common Name |
Glutaminyl-Glutamine
| Description |
Glutaminyl-Glutamine is a dipeptied compoosed of two glutamine residues. 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 HMDB28795 (Glutaminyl-Glutamine)
| Synonyms |
| Value |
Source |
GLN-GLNHMDB
Glutamine glutamine dipeptideHMDB
Glutamine-glutamine dipeptideHMDB
GlutaminylglutamineHMDB
L-Glutaminyl-L-glutamineHMDB
Q-Q DipeptideHMDB
QQ DipeptideHMDB
| Chemical Formlia |
C10H18N4O5
| Average Molecliar Weight |
274.2737
| Monoisotopic Molecliar Weight |
274.127719706
| IUPAC Name |
2-(2-amino-4-carbamoylbutanamido)-4-carbamoylbutanoic acid
| Traditional Name |
2-(2-amino-4-carbamoylbutanamido)-4-carbamoylbutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O
| InChI Identifier |
InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)
| InChI Key |
LOJYQMFIIJVETK-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
Monocarboxylic acids and derivatives
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl 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
N-acyl-amine
Fatty amide
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen 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-5.7Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility4.2 mg/mLALOGPS
logP-3.5ALOGPS
logP-5.7ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)3.49ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area178.6 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity63.02 m3·mol-1ChemAxon
Polarizability26.65 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 |
HMDB28795
| Metagene Link |
HMDB28795
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Chondroitin (sulfate)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Wei X, Chen D, Lv T: A functional polymorphism in XRCC1 is associated with glioma risk: evidence from a meta-analysis. Mol Biol Rep. 2013 Jan;40(1):567-72. doi: 10.1007/s11033-012-2093-y. Epub 2012 Oct 25. [PubMed:23096083 ]
- Tahara T, Shibata T, Nakamura M, Okubo M, Yamashita H, Yoshioka D, Yonemura J, Hirata I, Arisawa T: Association between polymorphisms in the XRCC1 and GST genes, and CpG island methylation status in colonic mucosa in ulcerative colitis. Virchows Arch. 2011 Feb;458(2):205-11. doi: 10.1007/s00428-010-1038-x. Epub 2011 Jan 14. [PubMed:21234761 ]
- Krediet TG, Wiertsema SP, Vossers MJ, Hoeks SB, Fleer A, Ruven HJ, Rijkers GT: Toll-like receptor 2 polymorphism is associated with preterm birth. Pediatr Res. 2007 Oct;62(4):474-6. [PubMed:17667860 ]
- Xi D, Pan S, Cui T, Wu J: Association between IL-13 gene polymorphism and asthma in Han nationality in Hubei Chinese population. J Huazhong Univ Sci Technolog Med Sci. 2004;24(3):219-22. [PubMed:15315330 ]
|
PMID: 15677346
