Chem
J-GLOBAL ID：200907008643302463   Nikkaji number：J732.190B

Glucoraphenin

グルコラフェニン
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： C12H21NO10S3
Molecular formula furigana： C12-H21-N-O10-S3
Molecular weight： 435.480
InChI： InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1
InChI key： ZFLXCZJBYSPSKU-SISVVIKZSA-N
SMILES： CS(=O)C=CCCC(=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-[N-(ヒドロキシスルホニルオキシ)-5-(メチルスルフィニル)-4-ペンテンイミダート]
  • {[(5-メタンスルフィニル-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}ペンタ-4-エン-1-イリデン)アミノ]オキシ}スルホン酸
  • {[(5-methanesulfinyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino]oxy}sulfonic acid
Other name (3)：
  • グルコラフェニン
  • Glucoraphenin
  • 1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-5-(methylsulfinyl)-4-penteneimidate]
CAS registry number： 28463-24-3
KEGG COMPOUND： C08420
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