| Common Name |
Tryptophyl-Methionine
| Description |
Tryptophyl-Methionine is a dipeptide composed of tryptophan and methionine. 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 HMDB29089 (Tryptophyl-Methionine)
| Synonyms |
| Value |
Source |
L-Tryptophyl-L-methionineHMDB
TRP-MetHMDB
Tryptophan methionine dipeptideHMDB
Tryptophan-methionine dipeptideHMDB
TryptophylmethionineHMDB
W-m DipeptideHMDB
WM DipeptideHMDB
| Chemical Formlia |
C16H21N3O3S
| Average Molecliar Weight |
335.421
| Monoisotopic Molecliar Weight |
335.130362243
| IUPAC Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylslifanyl)butanoic acid
| Traditional Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylslifanyl)butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CSCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O
| InChI Identifier |
InChI=1S/C16H21N3O3S/c1-23-7-6-14(16(21)22)19-15(20)12(17)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)
| InChI Key |
BVZABQIRMYTKCF-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 |
Methionine and derivatives
N-acyl-alpha amino acids
Tryptamines and derivatives
Alpha amino acid amides
3-alkylindoles
Thia fatty acids
Aralkylamines
Benzenoids
Substituted pyrroles
Fatty amides
Heteroaromatic compounds
Secondary carboxylic acid amides
Amino acids
Slifenyl compounds
Dialkylthioethers
Carboxylic acids
Monocarboxylic acids and derivatives
Azacyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Thia fatty acid
Aralkylamine
Fatty amide
Substituted pyrrole
Fatty acyl
Benzenoid
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Slifenyl compound
Thioether
Azacycle
Dialkylthioether
Carboxylic acid
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Primary amine
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Amine
Organic oxygen compound
Organoslifur 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-0.97Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.078 mg/mLALOGPS
logP-0.34ALOGPS
logP-0.97ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.77ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area108.21 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity90.59 m3·mol-1ChemAxon
Polarizability35.59 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 |
HMDB29089
| Metagene Link |
HMDB29089
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Protocatechuic acid
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 9098663
