Chem
J-GLOBAL ID:200907000447883783   Nikkaji number:J640.783H

3-Butenyl glucosinolate

3-ブテニルグルコシノラート
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: C11H19NO9S2
Molecular formula furigana: C11-H19-N-O9-S2
Molecular weight: 373.390
InChI: InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1
InChI key: PLYQBXHVYUJNQB-ZHVGPZTNSA-N
SMILES: OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCC=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (6):
  • N-(ヒドロキシスルホニルオキシ)-4-ペンテンイミドチオ酸β-D-グルコピラノシル
  • 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)-4-ペンテンイミダート]
  • 1-S-[1-(スルホオキシイミノ)-4-ペンテニル]-1-チオ-β-D-グルコピラノース
  • N-(スルホオキシ)-S-(β-D-グルコピラノシル)-4-ペンテンイミドチオ酸
  • {[(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
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Other name (7):
  • 3-ブテニルグルコシノラート
  • 3-Butenyl glucosinolate
  • 1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-4-penteneimidate]
  • 1-S-[1-(Sulfooxyimino)-4-pentenyl]-1-thio-β-D-glucopyranose
  • N-(Sulfooxy)-S-(β-D-glucopyranosyl)-4-pentenimidothioic acid
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CAS registry number: 19041-09-9
KEGG COMPOUND: C08415
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