Chem
J-GLOBAL ID：200907045887289054   Nikkaji number：J2.760.166I

Thiamine aldehyde

チアミンアルデヒド
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： C12H15N3[N+]OS
Molecular formula furigana： C12-H15-N4-O-S
Molecular weight： 263.340
InChI： InChI=1S/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)/q+1
InChI key： YLTKXCQXTWMOIT-UHFFFAOYSA-N
SMILES： Cc1c(CC=O)sc[n+]1Cc1cnc(C)nc1N
Systematic name  (3)：
  • 3-(4-アミノ-2-メチル-5-ピリミジニルメチル)-4-メチルチアゾール-3-イウム-5-アセトアルデヒド
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-4-メチル-5-(2-オキソエチル)-1,3-チアゾール-3-イウム
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-oxoethyl)-1,3-thiazol-3-ium
Other name (3)：
  • 3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-4-methylthiazole-3-ium-5-acetaldehyde
  • Thiamine aldehyde
  • チアミンアルデヒド
KEGG COMPOUND： C05856
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