| Common Name |
Tryptophyl-Glutamate
| Description |
Tryptophyl-Glutamate is a dipeptide composed of tryptophan and glutamate. 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 |
MOLSDFPDBSMILESInChI
Structure for HMDB29082 (Tryptophyl-Glutamate)
| Synonyms |
| Value |
Source |
L-Tryptophyl-L-glutamateHMDB
TRP-GluHMDB
Tryptophan glutamate dipeptideHMDB
Tryptophan-glutamate dipeptideHMDB
TryptophylglutamateHMDB
W-e DipeptideHMDB
WE dipeptideHMDB
| Chemical Formlia |
C16H18N3O5
| Average Molecliar Weight |
332.3312
| Monoisotopic Molecliar Weight |
332.124645701
| IUPAC Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoate
| Traditional Name |
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoate
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=O)C([O-])=O
| InChI Identifier |
InChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/p-1
| InChI Key |
PWIQCLSQVQBOQV-UHFFFAOYSA-M
| 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 |
Glutamic acid and derivatives
N-acyl-alpha amino acids
Tryptamines and derivatives
Alpha amino acid amides
3-alkylindoles
Aralkylamines
Substituted pyrroles
Benzenoids
Dicarboxylic acids and derivatives
Fatty amides
Heteroaromatic compounds
Amino acids
Secondary carboxylic acid amides
Carboxylic acids
Azacyclic compounds
Organic oxides
Organopnictogen compounds
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic anions
| Substituents |
Alpha-dipeptide
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Aralkylamine
Substituted pyrrole
Dicarboxylic acid or derivatives
Fatty acyl
Benzenoid
Fatty amide
Heteroaromatic compound
Pyrrole
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Carboxylic acid
Organonitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organooxygen compound
Primary amine
Organic nitrogen compound
Organic anion
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-2.24Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.84 mg/mLALOGPS
logP-1.1ALOGPS
logP-2.2ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area148.34 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity95.13 m3·mol-1ChemAxon
Polarizability32.56 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 |
HMDB29082
| Metagene Link |
HMDB29082
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: N-Desmethylclozapine
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 12445705