| Common Name |
Valyl-Tryptophan
| Description |
Valyl-Tryptophan is a dipeptide composed of valine 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 HMDB29138 (Valyl-Tryptophan)
| Synonyms |
| Value |
Source |
L-Valyl-L-tryptophanHMDB
V-W DipeptideHMDB
Val-TRPHMDB
Valine tryptophan dipeptideHMDB
Valine-tryptophan dipeptideHMDB
ValyltryptophanHMDB
VW DipeptideHMDB
| Chemical Formlia |
C16H21N3O3
| Average Molecliar Weight |
303.3562
| Monoisotopic Molecliar Weight |
303.158291553
| IUPAC Name |
2-(2-amino-3-methylbutanamido)-3-(1H-indol-3-yl)propanoic acid
| Traditional Name |
2-(2-amino-3-methylbutanamido)-3-(1H-indol-3-yl)propanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
| InChI Identifier |
InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)
| InChI Key |
LZDNBBYBDGBADK-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 |
Valine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Indolyl carboxylic acids and derivatives
3-alkylindoles
Substituted pyrroles
N-acyl amines
Benzenoids
Heteroaromatic compounds
Amino acids
Secondary carboxylic acid amides
Monocarboxylic acids and derivatives
Carboxylic acids
Azacyclic compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Valine or derivatives
Alpha-amino acid amide
Indolyl carboxylic acid derivative
Alpha-amino acid or derivatives
3-alkylindole
Indole or derivatives
Indole
N-acyl-amine
Substituted pyrrole
Fatty amide
Benzenoid
Fatty acyl
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Carbonyl group
Primary aliphatic amine
Organopnictogen compound
Organooxygen compound
Organonitrogen 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-0.74Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.35 mg/mLALOGPS
logP-0.64ALOGPS
logP-0.74ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)3.95ChemAxon
pKa (Strongest Basic)8.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area108.21 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity82.5 m3·mol-1ChemAxon
Polarizability32.45 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 |
HMDB29138
| Metagene Link |
HMDB29138
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Bromocriptine (mesylate)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Kano K, Hasegawa H, Miyamura M: Chiral recognition of dipeptide methyl esters by an anionic beta-cyclodextrin. Chirality. 2001 Aug;13(8):474-82. [PubMed:11466771 ]
- Galardy RE: Inhibition of angiotensin converting enzyme by phosphoramidates and polyphosphates. Biochemistry. 1982 Nov 9;21(23):5777-81. [PubMed:6295438 ]
|
PMID: 8478907