Chem
J-GLOBAL ID：200907096308476100   Nikkaji number：J2.199.870B

4′-ThioCTP

4′-チオCTP
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： C9H16N3O13P3S
Molecular formula furigana： C9-H16-N3-O13-P3-S
Molecular weight： 499.220
InChI： InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(29-8)3-23-27(19,20)25-28(21,22)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI key： OHINSMXJPMRQOP-XVFCMESISA-N
SMILES： Nc1ccn([C@@H]2S[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
Systematic name  (3)：
  • 4′-O-チアシチジン5′-三りん酸
  • ({[({[(2R,3S,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3,4-ジヒドロキシチオラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (3)：
  • 4′-O-Thiacytidine 5′-triphosphoric acid
  • 4′-チオCTP
  • 4′-ThioCTP
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