Chem
J-GLOBAL ID：201007009430536727   Nikkaji number：J2.806.266D

1-Methyl-2-hydroxyetyl glucosinolate

3-ヒドロキシ-2-メチル-N-(スルホオキシ)プロパンイミドチオ酸S-β-D-グルコピラノシル
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： C10H19NO10S2
Molecular formula furigana： C10-H19-N-O10-S2
Molecular weight： 377.380
InChI： InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1
InChI key： WMJAKSMGNADDKY-QTCACZPWSA-N
SMILES： CC(CO)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3-ヒドロキシ-2-メチル-N-(スルホオキシ)プロパンイミドチオ酸S-β-D-グルコピラノシル
  • {[(3-ヒドロキシ-2-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}プロピリデン)アミノ]オキシ}スルホン酸
  • {[(3-hydroxy-2-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonic acid
Other name (2)：
  • 3-Hydroxy-2-methyl-N-(sulfooxy)propanimidothioic acid S-β-D-glucopyranosyl ester
  • 1-Methyl-2-hydroxyetyl glucosinolate
KEGG COMPOUND： C17275
Thsaurus map：
Thesaurus Map

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