GLUCOSINOLATE,7-METHYL-THIO-HEPTYL

Structure

2D structure of GLUCOSINOLATE,7-METHYL-THIO-HEPTYL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44237368

Names and identifiers

Name

GLUCOSINOLATE,7-METHYL-THIO-HEPTYL

IUPAC name

((E)-8-(methylthio)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)octylidene)amino sulfate

SMILES

CSCCCCCCC/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

C15H28NO9S3-

Molecular weight

462.59 g/mol

Monoisotopic mass

462.0932 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