| Common Name |
Phenylalanyl-Tyrosine
| Description |
Phenylalanyl-Tyrosine is a dipeptide composed of phenylalanine and tyrosine. 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 HMDB29007 (Phenylalanyl-Tyrosine)
| Synonyms |
| Value |
Source |
F-Y dipeptideHMDB
FY dipeptideHMDB
L-Phenylalanyl-L-tyrosineHMDB
Phe-tyrHMDB
Phenylalanine tyrosine dipeptideHMDB
Phenylalanine-tyrosine dipeptideHMDB
PhenylalanyltyrosineHMDB
| Chemical Formlia |
C18H20N2O4
| Average Molecliar Weight |
328.3624
| Monoisotopic Molecliar Weight |
328.142307138
| IUPAC Name |
2-(2-amino-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid
| Traditional Name |
phe-tyr
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O
| InChI Identifier |
InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
| InChI Key |
FSXRLASFHBWESK-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 |
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-0.37Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.046 mg/mLALOGPS
logP-0.7ALOGPS
logP-0.37ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)3.54ChemAxon
pKa (Strongest Basic)8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity89.01 m3·mol-1ChemAxon
Polarizability34.56 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-020r-0926000000-90a5602b59d76f06a90cView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0fl0-0900000000-c4b5c49fbc9273961300View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0zou-4900000000-c341aa1ccedc54685965View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-004i-0249000000-28e3b09c39c0da4946d1View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-05cr-1953000000-453f36beff27c57eba52View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-01×4-4910000000-def0e0d2fafff76b60b9View in MoNA
| 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 |
HMDB29007
| Metagene Link |
HMDB29007
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: IDO-IN-2
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Hawthorne SJ, Halton DW, Walker B: Identification and characterization of the cysteine and serine proteinases of the trematode, Haplometra cylindracea and determination of their haemoglobinase activity. Parasitology. 1994 Jun;108 ( Pt 5):595-601. [PubMed:8052515 ]
- Simpkins C: A new cytochrome C reducing dipeptide. J Natl Med Assoc. 1990 Feb;82(2):113-6. [PubMed:2154586 ]
- Fowler GJ, Visschers RW, Grief GG, van Grondelle R, Hunter CN: Genetically modified photosynthetic antenna complexes with blueshifted absorbance bands. Nature. 1992 Feb 27;355(6363):848-50. [PubMed:1538765 ]
|
PMID: 25224567
