Chem
J-GLOBAL ID：200907072760797996   Nikkaji number：J791.117C

Thiamine Triphosphate

チアミン三リン酸
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： C12H18N3[N+]O8[O-]2P3S
Molecular formula furigana： C12-H18-N4-O10-P3-S
Molecular weight： 503.280
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-M
SMILES： Cc1c(CCOP(=O)([O-])OP(=O)([O-])OP(=O)(O)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-5-[2-(ホスホノオキシホスフィナトオキシホスフィナトオキシ)エチル]チアゾリウム
  • 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-({オキシド[(ホスホノ ホスホナト)オキシ]ホスホリル}オキシ)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-({oxido[(phosphono phosphonato)oxy]phosphoryl}oxy)ethyl]-1,3-thiazol-3-ium
Other name (5)：
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxyphosphinatooxyphosphinatooxy)ethyl]thiazolium
  • Thiamin triphosphate
  • チアミン三りん酸
  • チアミン三リン酸
  • Thiamine triphosphate
CAS registry number： 3475-65-8
KEGG COMPOUND： C03028
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