Chem
J-GLOBAL ID:200907049269773390   Nikkaji number:J1.896.439B

3′-O-[2-(Methylamino)benzoyl]guanosine 5′-O-(γ-thiotriphosphoric acid)

3′-O-[2-(メチルアミノ)ベンゾイル]グアノシン5′-O-(γ-チオ三りん酸)
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: C18H23N6O14P3S
Molecular formula furigana: C18-H23-N6-O14-P3-S
Molecular weight: 672.390
InChI: InChI=1S/C18H23N6O14P3S/c1-20-9-5-3-2-4-8(9)17(27)36-13-10(6-34-39(28,29)37-40(30,31)38-41(32,33)42)35-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,28,29)(H,30,31)(H2,32,33,42)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1
InChI key: RIKHJWADMANHFY-XNIJJKJLSA-N
SMILES: CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O
Systematic name  (3):
  • 3′-O-[2-(メチルアミノ)ベンゾイル]グアノシン5′-O-(γ-チオ三りん酸)
  • ({[({[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-4-ヒドロキシ-3-[2-(メチルアミノ)ベンゾイルオキシ]オキソラン-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)(スルファニル)ホスフィン酸
  • ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-3-[2-(methylamino)benzoyloxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanyl)phosphinic acid
Other name (1):
  • 3′-O-[2-(Methylamino)benzoyl]guanosine 5′-O-(γ-thiotriphosphoric acid)
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