Chem
J-GLOBAL ID：200907012115345190   Nikkaji number：J1.240.474C

Glucoconringiin

グルココンリンギイン
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： C11H21NO10S2
Molecular formula furigana： C11-H21-N-O10-S2
Molecular weight： 391.410
InChI： InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1
InChI key： DYAQCRHEYVANDL-HOQQJHGQSA-N
SMILES： CC(C)(O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-チオ-β-D-グルコピラノース1-[3-ヒドロキシ-3-メチル-N-(ヒドロキシスルホニルオキシ)ブタンイミダート]
  • {[(3-ヒドロキシ-3-メチル-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}ブチリデン)アミノ]オキシ}スルホン酸
  • {[(3-hydroxy-3-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid
Other name (3)：
  • 1-Thio-β-D-glucopyranose 1-[3-hydroxy-3-methyl-N-(hydroxysulfonyloxy)butanimidate]
  • グルココンリンギイン
  • Glucoconringiin
CAS registry number： 28463-28-7
KEGG COMPOUND： C08408
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