Chem
J-GLOBAL ID：201007013570622779   Nikkaji number：J2.799.841K

2-Methyl-1-hydroxypropyl-TPP

2-メチル-1-ヒドロキシプロピル-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： C16H27N3[N+]O8P2S
Molecular formula furigana： C16-H27-N4-O8-P2-S
Molecular weight： 497.420
InChI： InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1
InChI key： SSYCSHKTIOHFEZ-UHFFFAOYSA-O
SMILES： CC(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-(1-ヒドロキシ-2-メチルプロピル)-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-(1-ヒドロキシ-2-メチルプロピル)-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-(1-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-3-ium
Other name (5)：
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-[2-(phosphonooxyphosphonyloxy)ethyl]thiazole-3-ium
  • 2-Methyl-1-hydroxypropyl-ThPP
  • 2-Methyl-1-hydroxypropyl-TPP
  • 2-メチル-1-ヒドロキシプロピル-ThPP
  • 2-メチル-1-ヒドロキシプロピル-TPP
KEGG COMPOUND： C15976
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