Chem
J-GLOBAL ID:200907006336933704
Nikkaji number:J213.534E
α-TPNH
アデノシン2′-りん酸5′-[二りん酸P2 -[1-(1,4-ジヒドロ-3-カルバモイルピリジン-1-イル)-1,5-ジデオキシ-α-D-ribo-ペントフラノース-5-イル]]
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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:
C21 H30 N7 O17 P3
Molecular formula furigana:
C21-H30-N7-O17-P3
Molecular weight:
745.424
InChI:
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
InChI key:
ACFIXJIJDZMPPO-OPDHFMQKSA-N
SMILES:
NC(=O)C1=CN(C=CC1)[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](OP(=O)(O)O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Systematic name (3):
アデノシン2′-りん酸5′-[二りん酸P2 -[1-(1,4-ジヒドロ-3-カルバモイルピリジン-1-イル)-1,5-ジデオキシ-α-D-ribo-ペントフラノース-5-イル]]
{[(2R,3R,4R,5R)-2-(6-アミノ-9H-プリン-9-イル)-5-[({[({[(2R,3S,4R,5S)-5-(3-カルバモイル-1,4-ジヒドロピリジン-1-イル)-3,4-ジヒドロキシオキソラン-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)メチル]-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2R,3S,4R,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (3):
α-TPNH
α-NADPH
Adenosine 2′-phosphoric acid 5′-[diphosphoric acid P2 -[1-(1,4-dihydro-3-carbamoylpyridin-1-yl)-1,5-dideoxy-α-D-ribo-pentofuranos-5-yl]] ester
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