AromaDb: A Database of Plant's Aroma Molecules

alpha-Aminoisovaleric acid Details

: IUPAC Name
DL-Valine
:Chemical Class
:CAS Registry Number
110-58-7
:Description

:Fragrance Type
Fishy aroma??????

Physical and Chemical properties

PUBCHEM ID1182
Molecular Weight (mg/mol)117.15
Molecular FormulaC5H13N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
IUPAC NameDL-Valine
Canonical SMILESCCCCCN
PUBCHEM IUPAC INCHIKEYDPBLXKKOBLCELK-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure1.413

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.161
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.51546
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 110-58-7 NA NA NA NA NA
2 110-58-7 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 110-58-7 alpha-Aminoisovaleric acid

Compound Image


2D Structure

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