Chem
J-GLOBAL ID：200907013852433447
Nikkaji number：J677.598E
3′-O-(N-Methylanthraniloyl)-ADP
3′-O-(N-メチルアントラニロイル)-ADP
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
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
Molecular formula： C18H22N6O11P2
Molecular formula furigana： C18-H22-N6-O11-P2
Molecular weight： 560.353
InChI：
InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
InChI key：
ANMCUTJZONROBG-LSCFUAHRSA-N
SMILES：
CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Systematic name (5)：
- 3′-[2-(メチルアミノ)ベンゾイルオキシ]-3′-デオキシアデノシン5′-二りん酸
- 3′-O-[2-(メチルアミノ)ベンゾイル]アデノシン5′-二りん酸
- アデノシン3′-[2-(メチルアミノ)ベンゾアート]5′-ジホスファート
- [({[(2R,3S,4R,5R)-5-(6-アミノ-9H-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]ホスホン酸
- [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-[2-(methylamino)benzoyloxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
- Adenosine 3′-[2-(methylamino)benzoate]5′-diphosphate
- 3′-O-(N-メチルアントラニロイル)-ADP
- 3′-O-(N-Methylanthraniloyl)-ADP
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