Chem
J-GLOBAL ID：200907041680242354   Nikkaji number：J221.489J

Thiamine Monophosphate

チアミン一リン酸
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+]O4PS
Molecular formula furigana： C12-H18-N4-O4-P-S
Molecular weight： 345.330
InChI： InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
InChI key： HZSAJDVWZRBGIF-UHFFFAOYSA-O
SMILES： Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1cnc(C)nc1N
Systematic name  (8)：
  • 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)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-5-ピリミジニル)メチル]-4-メチル-5-(2-ホスホノオキシエチル)チアゾール-3-イウム
  • 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)エチル]チアゾール-3-イウム
  • りん酸2-[[3-[(2-メチル-4-アミノ-5-ピリミジニル)メチル]-4-メチルチアゾリウム]5-イル]エチル
  • 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)エチル]チアゾリウム
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Other name (13)：
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazol-3-ium
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-phosphonooxyethyl)thiazol-3-ium
  • チアミンホスファート
  • Thiamine monophosphate
  • Thiamine phosphate
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KEGG COMPOUND： C01081
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