Chem
J-GLOBAL ID：201007048533147384   Nikkaji number：J2.806.224I

3-Methylthiopropyl-desulfoglucosinolate

1-(ヒドロキシイミノ)-4-(メチルチオ)ブチル1-チオ-β-D-グルコピラノシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H21NO6S2
Molecular formula furigana： C11-H21-N-O6-S2
Molecular weight： 327.410
InChI： InChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/t6-,8-,9+,10-,11+/m1/s1
InChI key： OYTRJEKRRFSKHF-ZHVGPZTNSA-N
SMILES： CSCCCC(=NO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-(ヒドロキシイミノ)-4-(メチルチオ)ブチル1-チオ-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[1-(ヒドロキシイミノ)-4-(メチルスルファニル)ブチル]スルファニル}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[1-(hydroxyimino)-4-(methylsulfanyl)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 1-(Hydroxyimino)-4-(methylthio)butyl 1-thio-β-D-glucopyranoside
  • 3-Methylthiopropyl-desulfoglucosinolate
KEGG COMPOUND： C17244
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