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