Chem
J-GLOBAL ID：200907080536686480   Nikkaji number：J811.781K

AcThDP

2-アセチルチアミンジホスファート
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： C14H21N3[N+]O8P2S
Molecular formula furigana： C14-H21-N4-O8-P2-S
Molecular weight： 467.350
InChI： InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
InChI key： GYRGKLZCJRVYRV-UHFFFAOYSA-O
SMILES： CC(=O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N
Systematic name  (5)：
  • 2-アセチル-3-[(2-メチル-4-アミノピリミジン-5-イル)メチル]-4-メチル-5-[2-[(ホスホノオキシ)ホスホニルオキシ]エチル]チアゾリウム
  • 2-アセチル-3-(2-メチル-4-アミノピリミジン-5-イルメチル)-4-メチルチアゾリウム-5-エタノール二りん酸
  • 2-アセチル-3-(2-メチル-4-アミノピリミジン-5-イルメチル)-4-メチル-5-[2-[[[(ジヒドロキシホスフィニル)オキシ]ヒドロキシホスフィニル]オキシ]エチル]チアゾール-3-イウム
  • 2-アセチル-3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-5-(2-{[ヒドロキシ(ホスホノオキシ)ホスホリル]オキシ}エチル)-4-メチル-1,3-チアゾール-3-イウム
  • 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Other name (6)：
  • 2-Acetyl-3-[(2-methyl-4-aminopyrimidin-5-yl)methyl]-4-methyl-5-[2-[(phosphonooxy)phosphonyloxy]ethyl]thiazolium
  • 2-Acetyl-3-(2-methyl-4-aminopyrimidine-5-ylmethyl)-4-methylthiazolium-5-ethanol diphosphoric acid
  • 2-アセチルチアミンジホスファート
  • 2-Acetylthiamin diphosphate
  • 2-Acetyl-3-(2-methyl-4-aminopyrimidine-5-ylmethyl)-4-methyl-5-[2-[[[(dihydroxyphosphinyl)oxy]hydroxyphosphinyl]oxy]ethyl]thiazole-3-ium
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