Chem
J-GLOBAL ID：200907008290095027   Nikkaji number：J704.822J

N-Glucosylnicotinate

N-グルコシルニコチン酸
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： C12H16[N+]O7
Molecular formula furigana： C12-H16-N-O7
Molecular weight： 286.259
InChI： InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/p+1/t7-,8-,9+,10-,11-/m1/s1
InChI key： CRXJVFIHZPTDKA-KAMPLNKDSA-O
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[n+]1cccc(c1)C(=O)O
Systematic name  (4)：
  • 1-(β-D-グルコピラノシル)-3-カルボキシピリジニウム
  • 1-β-D-グルコピラノシルピリジニウム-3-カルボン酸
  • 3-カルボキシ-1-[(2R,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]-1λ5-ピリジン-1-イリウム
  • 3-carboxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1λ5-pyridin-1-ylium
Other name (4)：
  • 1-(β-D-Glucopyranosyl)-3-carboxypyridinium
  • 1-β-D-Glucopyranosylpyridinium-3-carboxylic acid
  • N-Glucosylnicotinate
  • N-グルコシルニコチン酸
KEGG COMPOUND： C03003
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