| Common Name |
Histidinyl-Histidine
| Description |
Histidinyl-Histidine is a dipeptied compoosed of two histidine 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 HMDB28887 (Histidinyl-Histidine)
| Synonyms |
| Value |
Source |
H-H DipeptideHMDB
HH DipeptideHMDB
His-hisHMDB
Histidine histidine dipeptideHMDB
Histidine-histidine dipeptideHMDB
HistidinylhistidineHMDB
L-Histidinyl-L-histidineHMDB
Histidylhistidine, (DL)-(DL)-isomerMeSH
| Chemical Formlia |
C12H16N6O3
| Average Molecliar Weight |
292.2938
| Monoisotopic Molecliar Weight |
292.128388408
| IUPAC Name |
2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanoic acid
| Traditional Name |
2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-3-(3H-imidazol-4-yl)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CN=CN1)C(=O)NC(CC1=CN=CN1)C(O)=O
| InChI Identifier |
InChI=1S/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
| InChI Key |
SGCGMORCWLEJNZ-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
N-acyl-alpha amino acids
Alpha amino acid amides
Imidazolyl carboxylic acids and derivatives
Aralkylamines
Fatty amides
Heteroaromatic compounds
Secondary 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
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
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-4.64Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility2.02 mg/mLALOGPS
logP-2.8ALOGPS
logP-4.6ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)3.2ChemAxon
pKa (Strongest Basic)8.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.78 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity72.92 m3·mol-1ChemAxon
Polarizability28.75 Å3ChemAxon
Number of Rings2ChemAxon
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 |
HMDB28887
| Metagene Link |
HMDB28887
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: 1-Naphthaleneacetic acid
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Kardys I, de Maat MP, Klaver CC, Despriet DD, Uitterlinden AG, Hofman A, de Jong PT, Witteman JC: Usefulness of combining complement factor H and C-reactive protein genetic profiles for predicting myocardial infarction (from the Rotterdam Study). Am J Cardiol. 2007 Aug 15;100(4):646-8. Epub 2007 Jun 26. [PubMed:17697822 ]
- Ali-Torres J, Rodriguez-Santiago L, Sodupe M, Rauk A: Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimers disease: an ab initio study. J Phys Chem A. 2011 Nov 17;115(45):12523-30. doi: 10.1021/jp2026626. Epub 2011 Jun 16. [PubMed:21678945 ]
|
PMID: 7938165