ISO ALLIIN

Structure

2D structure of ISO ALLIIN
2D structure
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3D model

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

Names and identifiers

Name

ISO ALLIIN

IUPAC name

(R)-2-amino-2-methyl-3-((R)-methyl(oxo)((E)-prop-1-en-1-yl)-λ5-sulfaneyl)propanoic acid

SMILES

C([C@@](C[S@@](C=CC)(C)=O)(C)N)(=O)O

General information

Molecular formula

C8H16NO3S

Molecular weight

206.29 g/mol

Monoisotopic mass

206.0851 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