ALLIIN

Structure

2D structure of ALLIIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 87310

Names and identifiers

Name

ALLIIN

IUPAC name

(allylsulfinyl)-D-alanine

SMILES

C=CCS(=O)C[C@@H](C(=O)O)N

General information

Molecular formula

C6H11NO3S

Molecular weight

177.23 g/mol

Monoisotopic mass

177.0460 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Allium vineale L. bulb -
Boscher, J., Auger, J., Mandon, N., Ferary, S. (1995). Qualitative and quantitative comparison of volatile sulphides and flavor precursors in different organs of some wild and cultivated garlics. Biochem Syst Ecol, 23(7/8), 787-791 doi:10.1016/0305-1978(95)00072-0
Allium vineale L. leaf -
Boscher, J., Auger, J., Mandon, N., Ferary, S. (1995). Qualitative and quantitative comparison of volatile sulphides and flavor precursors in different organs of some wild and cultivated garlics. Biochem Syst Ecol, 23(7/8), 787-791 doi:10.1016/0305-1978(95)00072-0