AromaDb: A Database of Plant's Aroma Molecules

L-Asparticacid Details

: IUPAC Name
(2S)-2-aminobutanedioic acid
:Chemical Class
:CAS Registry Number
75-04-7
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID5960
Molecular Weight (mg/mol)133.107
Molecular FormulaC2H7N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name
Canonical SMILESNC(CC(=O)O)C(=O)O
PUBCHEM IUPAC INCHIKEYQUSNBJAOOMFDIB-UHFFFAOYSA-N
Solubility Level5
Vapour Pressure-14.259

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA63.31
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP98-1.301
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 ToxicityToxic
Rat Oral LD500.906715
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 75-04-7 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with butylbenzyl phthalate co-treated with INS protein] results in increased abundance of ethylamine analog affects^cotreatment|increases^abundance 26820058
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 75-04-7 L-Asparticacid

Compound Image


2D Structure

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