Chem
J-GLOBAL ID：201007087235364599   Nikkaji number：J2.799.847J

2-Methyl-1-hydroxybutyl-TPP

2-メチル-1-ヒドロキシブチル-TPP
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： C17H29N3[N+]O8P2S
Molecular formula furigana： C17-H29-N4-O8-P2-S
Molecular weight： 511.450
InChI： InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1
InChI key： CUBSXOWPMAOFDG-MYHCZTBNSA-O
SMILES： CC[C@H](C)C(O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[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]-2-[(2S)-1-ヒドロキシ-2-メチルブチル]-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
  • 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)-2-[(2S)-1-ヒドロキシ-2-メチルブチル]-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(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(2S)-1-hydroxy-2-methylbutyl]-4-methyl-1,3-thiazol-3-ium
Other name (5)：
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-[(2S)-1-hydroxy-2-methylbutyl]-4-methyl-5-[2-(phosphonooxyphosphonyloxy)ethyl]thiazole-3-ium
  • 2-Methyl-1-hydroxybutyl-ThPP
  • 2-Methyl-1-hydroxybutyl-TPP
  • 2-メチル-1-ヒドロキシブチル-ThPP
  • 2-メチル-1-ヒドロキシブチル-TPP
KEGG COMPOUND： C15978
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