Chem
J-GLOBAL ID：201007070005524341   Nikkaji number：J2.806.231A

Glucoarabishirsutain

グルコアラビシルスタイン
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： C14H27NO9S3
Molecular formula furigana： C14-H27-N-O9-S3
Molecular weight： 449.550
InChI： InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1
InChI key： ZAKICGFSIJSCSF-LPUQOGTASA-N
SMILES： CSCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 7-(メチルチオ)-N-(スルホオキシ)ヘプタンイミドチオ酸S-β-D-グルコピラノシル
  • ({[7-(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}ヘプチリデン]アミノ}オキシ)スルホン酸
  • ({[7-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino}oxy)sulfonic acid
Other name (4)：
  • 7-(Methylthio)-N-(sulfooxy)heptanimidothioic acid S-β-D-glucopyranosyl ester
  • 7-Methylthiohexyl glucosinolate
  • Glucoarabishirsutain
  • グルコアラビシルスタイン
KEGG COMPOUND： C17252
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