| Common Name |
Cysteinyl-Tryptophan
| Description |
Cysteinyl-Tryptophan is a dipeptide composed of cysteine 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 HMDB28786 (Cysteinyl-Tryptophan)
| Synonyms |
| Value |
Source |
C-W DipeptideHMDB
CW DipeptideHMDB
Cys-TRPHMDB
Cysteine tryptophan dipeptideHMDB
Cysteine-tryptophan dipeptideHMDB
CysteinyltryptophanHMDB
L-Cysteinyl-L-tryptophanHMDB
| Chemical Formlia |
C14H17N3O3S
| Average Molecliar Weight |
307.368
| Monoisotopic Molecliar Weight |
307.099062115
| IUPAC Name |
2-(2-amino-3-slifanylpropanamido)-3-(1H-indol-3-yl)propanoic acid
| Traditional Name |
2-(2-amino-3-slifanylpropanamido)-3-(1H-indol-3-yl)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
| InChI Identifier |
InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)
| InChI Key |
SYELGNBERZZXAG-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 |
N-acyl-alpha amino acids
Alpha amino acid amides
Indolyl carboxylic acids and derivatives
Cysteine and derivatives
3-alkylindoles
Substituted pyrroles
Benzenoids
Heteroaromatic compounds
Secondary carboxylic acid amides
Amino acids
Alkylthiols
Monocarboxylic acids and derivatives
Azacyclic compounds
Carboxylic acids
Organic oxides
Monoalkylamines
Carbonyl compounds
Organopnictogen compounds
Hydrocarbon derivatives
| Substituents |
Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Indolyl carboxylic acid derivative
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Alkylthiol
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organoslifur compound
Amine
Organic oxygen compound
Primary amine
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-1.58Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.052 mg/mLALOGPS
logP-0.93ALOGPS
logP-1.6ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.81ChemAxon
pKa (Strongest Basic)8.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area108.21 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity81.23 m3·mol-1ChemAxon
Polarizability31.72 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 |
HMDB28786
| Metagene Link |
HMDB28786
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: MK-0557
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Kulesza A, Mitric R, Bonacic-Koutecky V: Theoretical study of structural and optical properties of noble metal cluster-dipeptide hybrids at defect centers of MgO. Phys Chem Chem Phys. 2012 Jul 14;14(26):9330-5. doi: 10.1039/c2cp23500e. Epub 2012 Jan 25. [PubMed:22278638 ]
|
PMID: 11956966