| Common Name |
Phenylalanyl-Tryptophan
| Description |
Phenylalanyl-Tryptophan is a dipeptide composed of phenylalanine and tryptophan. 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 HMDB29006 (Phenylalanyl-Tryptophan)
| Synonyms |
| Value |
Source |
F-W DipeptideHMDB
FW DipeptideHMDB
L-Phenylalanyl-L-tryptophanHMDB
Phe-TRPHMDB
Phenylalanine tryptophan dipeptideHMDB
Phenylalanine-tryptophan dipeptideHMDB
PhenylalanyltryptophanHMDB
Phenylalanyltryptophan monoacetate, (L,L)-isomerMeSH
Phenylalanyltryptophan, (D,D)-isomerMeSH
Phenylalanyltryptophan, (L,D)-isomerMeSH
| Chemical Formlia |
C20H21N3O3
| Average Molecliar Weight |
351.399
| Monoisotopic Molecliar Weight |
351.158291553
| IUPAC Name |
2-(2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanoic acid
| Traditional Name |
phe-trp
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CC=CC=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
| InChI Identifier |
InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)
| InChI Key |
JMCOUWKXLXDERB-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 |
Phenylalanine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Indolyl carboxylic acids and derivatives
3-alkylindoles
Amphetamines and derivatives
Aralkylamines
Substituted pyrroles
Fatty amides
Heteroaromatic compounds
Secondary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Azacyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Indolyl carboxylic acid derivative
3-alkylindole
Alpha-amino acid or derivatives
Amphetamine or derivatives
Indole or derivatives
Indole
Aralkylamine
Fatty acyl
Fatty amide
Benzenoid
Substituted pyrrole
Monocyclic benzene moiety
Heteroaromatic compound
Pyrrole
Carboxamide group
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Azacycle
Carboxylic acid
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organopnictogen compound
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic 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
LogP0.03Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.016 mg/mLALOGPS
logP-0.07ALOGPS
logP0.032ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.84ChemAxon
pKa (Strongest Basic)8.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area108.21 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity98.12 m3·mol-1ChemAxon
Polarizability37.57 Å3ChemAxon
Number of Rings3ChemAxon
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 |
HMDB29006
| Metagene Link |
HMDB29006
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Roflumilast Impurity E
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 21957243