GLUCOSINOLATE,6-METHYL-THIO-HEXYL

Structure

2D structure of GLUCOSINOLATE,6-METHYL-THIO-HEXYL
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 90657148

Names and identifiers

Name

GLUCOSINOLATE,6-METHYL-THIO-HEXYL

IUPAC name

((E)-7-(methylthio)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)heptylidene)amino sulfate

SMILES

CSCCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

General information

Molecular formula

C14H26NO9S3-

Molecular weight

448.56 g/mol

Monoisotopic mass

448.0775 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Arabidopsis thaliana (L.) Heynh. leaf -
Hogge, L.R., Reed, D.W., Underhill, E.W., Haughn, G.W. (1988). Hplc separation of glucosinolates from leaves and seeds of Arabidopsis thaliana and their identification usinig thermospray liquid chromatography/mass spectrometry. J Chromatogr Sci, 26(11), 551-556 doi:10.1093/chromsci/26.11.551
Arabidopsis thaliana (L.) Heynh. seed -
Hogge, L.R., Reed, D.W., Underhill, E.W., Haughn, G.W. (1988). Hplc separation of glucosinolates from leaves and seeds of Arabidopsis thaliana and their identification usinig thermospray liquid chromatography/mass spectrometry. J Chromatogr Sci, 26(11), 551-556 doi:10.1093/chromsci/26.11.551