| Common Name |
Histidinyl-Glutamine
| Description |
Histidinyl-Glutamine is a dipeptide composed of histidine and glutamine. 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 HMDB28883 (Histidinyl-Glutamine)
| Synonyms |
| Value |
Source |
H-Q DipeptideHMDB
His-GLNHMDB
Histidine glutamine dipeptideHMDB
Histidine-glutamine dipeptideHMDB
HistidinylglutamineHMDB
HQ DipeptideHMDB
L-Histidinyl-L-glutamineHMDB
| Chemical Formlia |
C11H17N5O4
| Average Molecliar Weight |
283.2838
| Monoisotopic Molecliar Weight |
283.128054057
| IUPAC Name |
2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-4-carbamoylbutanoic acid
| Traditional Name |
2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CN=CN1)C(=O)NC(CCC(N)=O)C(O)=O
| InChI Identifier |
InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)
| InChI Key |
CTCFZNBRZBNKAX-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 |
Histidine and derivatives
Glutamine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Imidazolyl carboxylic acids and derivatives
Aralkylamines
Fatty amides
Heteroaromatic compounds
Secondary carboxylic acid amides
Primary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Azacyclic compounds
Carboxylic acids
Carbonyl compounds
Organic oxides
Organopnictogen compounds
Monoalkylamines
Hydrocarbon derivatives
| Substituents |
Alpha-dipeptide
Histidine or derivatives
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Imidazolyl carboxylic acid derivative
Aralkylamine
Fatty acyl
Fatty amide
Azole
Imidazole
Heteroaromatic compound
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic 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-5.21Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility6.79 mg/mLALOGPS
logP-3.1ALOGPS
logP-5.1ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.34ChemAxon
pKa (Strongest Basic)8.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area164.19 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity67.97 m3·mol-1ChemAxon
Polarizability27.72 Å3ChemAxon
Number of Rings1ChemAxon
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 |
HMDB28883
| Metagene Link |
HMDB28883
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Piperazine Erastin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Au NH, Wong AY, Vickars L, MacGillivray RT, Wadsworth LD: Two new examples of Hb St. Etienne [beta 92(F8)HisGln] in association with venous thrombosis. Hemoglobin. 2009;33(2):95-100. doi: 10.1080/03630260902817206. [PubMed:19373584 ]
|
PMID: 2976673