AromaDb: A Database of Plant's Aroma Molecules

L-Alanyl-L-Glutamine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
39537-23-0
:Description

:Fragrance Type
Weak savoury aroma

Physical and Chemical properties

PUBCHEM ID123935
Molecular Weight (mg/mol)217.229
Molecular FormulaC8H15N3O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
IUPAC Name
Canonical SMILESC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
PUBCHEM IUPAC INCHIKEYHJCMDXDYPOUFDY-WHFBIAKZSA-N
Solubility Level5
Vapour Pressure-7.86

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level4
Absorption Level2
EXT PPB#Prediction0
AlogP98-2.064
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.71206
Ocular IrritancyModerate
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 39537-23-0 CASP8 Homo sapiens alanylglutamine inhibits the reaction [tcdA protein, Clostridium difficile results in increased activity of CASP8 protein] decreases^reaction|increases^activity 16368960
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 39537-23-0 L-Alanyl-L-Glutamine

Compound Image


2D Structure

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