Chem
J-GLOBAL ID：200907072985687472   Nikkaji number：J1.036.257A

Glucoarabidopthalianin

グルコアラビドプタリアニン
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： C13H25NO9S3
Molecular formula furigana： C13-H25-N-O9-S3
Molecular weight： 435.520
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)/t8-,10-,11+,12-,13+/m1/s1
InChI key： MEFPHTVXBPLRLX-ZMHPAJMFSA-N
SMILES： CSCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (5)：
  • 1-チオ-β-D-グルコピラノース1-[N-(ヒドロキシスルホニルオキシ)-6-(メチルチオ)ヘキサンイミダート]
  • N-(ヒドロキシスルホニルオキシ)-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-(メチルチオ)-N-(スルホオキシ)ヘキサンイミドチオ酸S-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}オキシ)スルホン酸
  • ({[6-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino}oxy)sulfonic acid
Other name (5)：
  • 1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-6-(methylthio)hexanimidate]
  • N-(Hydroxysulfonyloxy)-6-(methylthio)hexanimidothioic acid β-D-glucopyranosyl ester
  • 6-(Methylthio)-N-(sulfooxy)hexanimidothioic acid S-β-D-glucopyranosyl ester
  • Glucoarabidopthalianin
  • グルコアラビドプタリアニン
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