Chem
J-GLOBAL ID：200907076279854078   Nikkaji number：J2.736.865D

Glucoberteroin

グルコベルテロイン
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： C13H24NO8[O-]S3
Molecular formula furigana： C13-H24-N-O9-S3
Molecular weight： 434.510
InChI： InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/t8-,10-,11+,12-,13+/m1/s1
InChI key： MEFPHTVXBPLRLX-ZMHPAJMFSA-M
SMILES： CSCCCCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • N-(スルホナトオキシ)-6-(メチルチオ)ヘキサンイミドチオ酸β-D-グルコピラノシル
  • [6-(メチルスルファニル)-1-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]スルファニル}ヘキシリデン]アミノ スルファート
  • [6-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino sulfate
Other name (5)：
  • N-(Sulfonatooxy)-6-(methylthio)hexanimidothioic acid β-D-glucopyranosyl ester
  • グルコベルテロイン
  • Glucoberteroin
  • 5-Methylthiopentyl glucosinolate
  • 5-メチルチオペンチルグルコシノラート
CAS registry number： 29611-01-6
KEGG COMPOUND： C08401
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