Chem
J-GLOBAL ID：200907047037067969   Nikkaji number：J522.944H

Thiamine monophosphate disulfide

チアミンモノホスファートジスルフィド
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： C24H40N8O10P2S2
Molecular formula furigana： C24-H40-N8-O10-P2-S2
Molecular weight： 726.700
InChI： InChI=1S/C24H40N8O10P2S2/c1-15(31(13-33)11-19-9-27-17(3)29-23(19)25)21(5-7-41-43(35,36)37)45-46-22(6-8-42-44(38,39)40)16(2)32(14-34)12-20-10-28-18(4)30-24(20)26/h9-10,13-16,21-22H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)(H2,35,36,37)(H2,38,39,40)
InChI key： CCEOFSVWVJGWLG-UHFFFAOYSA-N
SMILES： CC(C(CCOP(=O)(O)O)SSC(CCOP(=O)(O)O)C(C)N(Cc1cnc(C)nc1N)C=O)N(Cc1cnc(C)nc1N)C=O
Systematic name  (3)：
  • N,N′-[ジチオビス[2-[2-(ホスホノオキシ)エチル]-1-メチル-2,1-エタンジイル]]ビス[N-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]ホルムアミド]
  • [(4-{N-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]ホルムアミド}-3-[(4-{N-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]ホルムアミド}-1-(ホスホノオキシ)ペンタン-3-イル)ジスルファニル]ペンチル)オキシ]ホスホン酸
  • [(4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-1-(phosphonooxy)pentan-3-yl)disulfanyl]pentyl)oxy]phosphonic acid
Other name (3)：
  • チアミンモノホスファートジスルフィド
  • Thiamine monophosphate disulfide
  • N,N′-[Dithiobis[2-[2-(phosphonooxy)ethyl]-1-methyl-2,1-ethanediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide]
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