Chem
J-GLOBAL ID：200907045955788676   Nikkaji number：J1.471.362J

3-Deazathiamin diphosphate

3-デアザチアミン二りん酸
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： C13H19N3O7P2S
Molecular formula furigana： C13-H19-N3-O7-P2-S
Molecular weight： 423.320
InChI： InChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19)
InChI key： IOGGWTLVIZLGGZ-UHFFFAOYSA-N
SMILES： Cc1c(Cc2cnc(C)nc2N)csc1CCOP(=O)(O)OP(=O)(O)O
Systematic name  (4)：
  • 3-メチル-4-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-2-チオフェンエタノール二りん酸
  • 3-メチル-4-[(2-メチル-4-アミノ-5-ピリミジニル)メチル]-2-チオフェンエタノール二りん酸
  • {[(2-{4-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-3-メチルチオフェン-2-イル}エトキシ)(ヒドロキシ)ホスホリル]オキシ}ホスホン酸
  • {[(2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethoxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (4)：
  • 3-Methyl-4-[(4-amino-2-methylpyrimidine-5-yl)methyl]-2-thiopheneethanol diphosphoric acid
  • 3-デアザチアミン二りん酸
  • 3-Deazathiamin diphosphate
  • 3-Methyl-4-[(2-methyl-4-amino-5-pyrimidinyl)methyl]-2-thiopheneethanol diphosphoric acid
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