| Common Name |
Tryptophyl-Gamma-glutamate
| Description |
Tryptophyl-Gamma-glutamate is a dipeptide composed of tryptophan and gamma-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 HMDB29097 (Tryptophyl-Gamma-glutamate)
| Synonyms |
| Value |
Source |
L-Tryptophyl-L-gamma-glutamateHMDB
TRP-GGluHMDB
Tryptophan gamma-glutamate dipeptideHMDB
Tryptophan-gamma-glutamate dipeptideHMDB
Tryptophylgamma-glutamateHMDB
W-GE dipeptideHMDB
WGE dipeptideHMDB
| Chemical Formlia |
C16H20N4O4
| Average Molecliar Weight |
332.3544
| Monoisotopic Molecliar Weight |
332.148455148
| IUPAC Name |
2-amino-5-[2-amino-3-(1H-indol-3-yl)propanamido]-5-oxopentanoic acid
| Traditional Name |
2-amino-5-[2-amino-3-(1H-indol-3-yl)propanamido]-5-oxopentanoic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CCC(=O)NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O
| InChI Identifier |
InChI=1S/C16H20N4O4/c17-11(16(23)24)5-6-14(21)20-15(22)12(18)7-9-8-19-13-4-2-1-3-10(9)13/h1-4,8,11-12,19H,5-7,17-18H2,(H,23,24)(H,20,21,22)
| InChI Key |
FNGTUNXVLUYBPN-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resliting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Glutamine and derivatives
| Alternative Parents |
Tryptamines and derivatives
Alpha amino acid amides
3-alkylindoles
Alpha amino acids
Aralkylamines
Substituted pyrroles
N-acyl amines
Benzenoids
N-unsubstituted carboxylic acid imides
Dicarboximides
Heteroaromatic compounds
Amino acids
Carboxylic acids
Azacyclic compounds
Monocarboxylic acids and derivatives
Carbonyl compounds
Monoalkylamines
Organic oxides
Organopnictogen compounds
Hydrocarbon derivatives
| Substituents |
Glutamine or derivatives
Alpha-amino acid amide
Triptan
Alpha-amino acid
3-alkylindole
Indole
Indole or derivatives
Aralkylamine
N-acyl-amine
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Carboxylic acid imide, n-unsubstituted
Carboxylic acid imide
Dicarboximide
Amino acid
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Amine
Primary aliphatic amine
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Primary amine
Organonitrogen compound
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-2.74Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.57 mg/mLALOGPS
logP-1.3ALOGPS
logP-2.6ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)1.97ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area151.3 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity86.23 m3·mol-1ChemAxon
Polarizability34.06 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 |
HMDB29097
| Metagene Link |
HMDB29097
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: ML RR-S2 CDA (ammonium salt)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 12464356
