| Common Name |
Tyrosyl-Tyrosine
| Description |
Tyrosyl-Tyrosine is a dipeptied compoosed of two tyrosine 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 HMDB29117 (Tyrosyl-Tyrosine)
| Synonyms |
| Value |
Source |
DityrosineChEBI
L-Tyrosyl-L-tyrosineHMDB
Tyr-tyrHMDB
Tyrosine tyrosine dipeptideHMDB
Tyrosine-tyrosine dipeptideHMDB
TyrosyltyrosineHMDB
Y-y dipeptideHMDB
YY dipeptideHMDB
Peptide tyrosine-tyrosineMeSH
| Chemical Formlia |
C18H20N2O5
| Average Molecliar Weight |
344.3618
| Monoisotopic Molecliar Weight |
344.13722176
| IUPAC Name |
2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
| Traditional Name |
tyr-tyr
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O
| InChI Identifier |
InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)
| InChI Key |
JAQGKXUEKGKTKX-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 |
Tyrosine and derivatives
Phenylalanine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Phenylpropanoic acids
Amphetamines and derivatives
1-hydroxy-2-unsubstituted benzenoids
Aralkylamines
Fatty amides
Secondary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Benzenoid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Hydrocarbon derivative
Primary aliphatic amine
Amine
Organic oxygen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
dipeptide (CHEBI:60987 )
| 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-0.68Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.093 mg/mLALOGPS
logP-1.3ALOGPS
logP-0.68ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.42ChemAxon
pKa (Strongest Basic)8.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area132.88 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity90.99 m3·mol-1ChemAxon
Polarizability35.47 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 |
HMDB29117
| Metagene Link |
HMDB29117
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Impurity of Doxercalciferol
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 ]
- Hirota S, Okumura H, Kuroiwa S, Funasaki N, Watanabe Y: Reduction of ferricytochrome c by tyrosyltyrosylphenylalanine. J Biol Inorg Chem. 2005 Jun;10(4):355-63. Epub 2005 May 3. [PubMed:15868183 ]
- Miele R, Lattanzi R, Bonaccorsi di Patti MC, Paiardini A, Negri L, Barra D: Expression of Bv8 in Pichia pastoris to identify structural features for receptor binding. Protein Expr Purif. 2010 Sep;73(1):10-4. doi: 10.1016/j.pep.2010.04.012. Epub 2010 Apr 19. [PubMed:20412858 ]
- Huang WY, Chatterjee N, Chanock S, Dean M, Yeager M, Schoen RE, Hou LF, Berndt SI, Yadavalli S, Johnson CC, Hayes RB: Microsomal epoxide hydrolase polymorphisms and risk for advanced colorectal adenoma. Cancer Epidemiol Biomarkers Prev. 2005 Jan;14(1):152-7. [PubMed:15668489 ]
|
PMID: 9886683
