AromaDb: A Database of Plant's Aroma Molecules

L-Threonine Details

: IUPAC Name
L-Threonine
:Chemical Class
:CAS Registry Number
61-90-5
:Description

:Fragrance Type
savoury aroma??

Physical and Chemical properties

PUBCHEM ID6288
Molecular Weight (mg/mol)119.123
Molecular FormulaC6H13NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC NameL-Threonine
Canonical SMILESCC(C)C[C@H](N)C(=O)O
PUBCHEM IUPAC INCHIKEYROHFNLRQFUQHCH-YFKPBYRVSA-N
Solubility Level5
Vapour Pressure-3.19

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.02
BBB Level4
Absorption Level0
EXT PPB#Prediction0
AlogP98-1.193
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 LD501.14167
Ocular IrritancySevere
Hepatotoxic#Prediction0
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 61-90-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 61-90-5 L-Threonine

Compound Image


2D Structure

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