| Common Name |
Tyrosyl-Tryptophan
| Description |
Tyrosyl-Tryptophan is a dipeptide composed of tyrosine 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 HMDB29116 (Tyrosyl-Tryptophan)
| Synonyms |
| Value |
Source |
L-Tyrosyl-L-tryptophanHMDB
Tyr-TRPHMDB
Tyrosine tryptophan dipeptideHMDB
Tyrosine-tryptophan dipeptideHMDB
TyrosyltryptophanHMDB
Y-W dipeptideHMDB
YW dipeptideHMDB
| Chemical Formlia |
C20H21N3O4
| Average Molecliar Weight |
367.3984
| Monoisotopic Molecliar Weight |
367.153206175
| IUPAC Name |
2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
| Traditional Name |
2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
| InChI Identifier |
InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)
| InChI Key |
BMPPMAOOKQJYIP-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
Indolyl carboxylic acids and derivatives
Alpha amino acid amides
Amphetamines and derivatives
3-alkylindoles
Aralkylamines
1-hydroxy-2-unsubstituted benzenoids
Fatty amides
Substituted pyrroles
Heteroaromatic compounds
Secondary carboxylic acid amides
Amino acids
Carboxylic acids
Azacyclic compounds
Monocarboxylic acids and derivatives
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Indolyl carboxylic acid derivative
3-alkylindole
Alpha-amino acid or derivatives
Amphetamine or derivatives
Indole or derivatives
Indole
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
Phenol
Substituted pyrrole
Fatty acyl
Benzenoid
Fatty amide
Monocyclic benzene moiety
Heteroaromatic compound
Pyrrole
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Amino acid
Carboxylic acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Primary amine
Organonitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Amine
Primary aliphatic amine
Organooxygen 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
LogP-0.27Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.052 mg/mLALOGPS
logP-0.28ALOGPS
logP-0.27ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)3.72ChemAxon
pKa (Strongest Basic)8.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area128.44 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity100.1 m3·mol-1ChemAxon
Polarizability38.35 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 |
HMDB29116
| Metagene Link |
HMDB29116
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Leonurine (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 10991983
