Chem
J-GLOBAL ID：200907012845662744   Nikkaji number：J350.389E

Thiamine triphosphate

チアミントリホスファート
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： C12H20N3[N+]O10P3S
Molecular formula furigana： C12-H20-N4-O10-P3-S
Molecular weight： 505.290
InChI： InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1
InChI key： IWLROWZYZPNOFC-UHFFFAOYSA-O
SMILES： Cc1c(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)sc[n+]1Cc1cnc(C)nc1N
Systematic name  (4)：
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-5-[2-[[(ホスホノオキシ)ホスホニルオキシ]ホスホニルオキシ]エチル]-4-メチルチアゾール-3-イウム
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-5-[2-[(ホスホノオキシ)ホスホニルオキシホスホニルオキシ]エチル]-4-メチルチアゾール-3-イウム
  • 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({[ヒドロキシ(ホスホノオキシ)ホスホリル]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
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Other name (3)：
  • チアミントリホスファート
  • Thiamine triphosphate
  • 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[(phosphonooxy)phosphonyloxyphosphonyloxy]ethyl]-4-methylthiazol-3-ium
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