Chem
J-GLOBAL ID：201007016196371146   Nikkaji number：J2.783.892H

2-(1,2-Dihydroxyethyl)-TPP

1-[[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ホニルオキシ)エチル]チアゾール-3-イウム]-2-イル]-1,2-ジヒドロキシエタン-1-イド
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： C13[C-]H22N3[N+]O9P2S
Molecular formula furigana： C14-H22-N4-O9-P2-S
Molecular weight： 484.360
InChI： InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)
InChI key： LXZUEFPJZTWGEL-UHFFFAOYSA-N
SMILES： Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc([C-](O)CO)[n+]1Cc1cnc(C)nc1N
Systematic name  (3)：
  • 1-[[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ホニルオキシ)エチル]チアゾール-3-イウム]-2-イル]-1,2-ジヒドロキシエタン-1-イド
  • 1-{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-イル}-1,2-ジヒドロキシエタニド
  • 1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1,2-dihydroxyethanide
Other name (4)：
  • 1-[[3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-4-methyl-5-[2-(phosphonooxyphosphonyloxy)ethyl]thiazole-3-ium]-2-yl]-1,2-dihydroxyethane-1-ide
  • alpha,beta-Dihydroxyethyl-TPP
  • alpha,beta-Dihydroxyethyl-ThDP
  • 2-(1,2-Dihydroxyethyl)-TPP
KEGG COMPOUND： C13378
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