Chem
J-GLOBAL ID：200907052761928414   Nikkaji number：J2.760.244D

(6S)-6β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2′-phosphate

(6S)-6β-ヒドロキシ-1,4,5,6-テトラヒドロニコチンアミド-アデニンジヌクレオチド2′-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： C21H32N7O18P3
Molecular formula furigana： C21-H32-N7-O18-P3
Molecular weight： 763.439
InChI： InChI=1S/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChI key： SZKXTJUOKARGIY-VPHRTNKSSA-N
SMILES： NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)[C@@H](O)CC1
Systematic name  (3)：
  • アデノシン2′-りん酸5′-二りん酸β-[1-[(2S)-5-カルバモイル-2-ヒドロキシ-3,4-ジヒドロピリジン-1(2H)-イル]-1,5-ジデオキシ-β-D-リボフラノース-5-イル]
  • {[(2R,3R,4R,5R)-2-(6-アミノ-9H-プリン-9-イル)-5-[({[({[(2R,3S,4R,5R)-5-[(2S)-5-カルバモイル-2-ヒドロキシ-1,2,3,4-テトラヒドロピリジン-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,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-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)：
  • Adenosine 2′-phosphoric acid 5′-diphosphoric acid β-[1-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridine-1(2H)-yl]-1,5-dideoxy-β-D-ribofuranose-5-yl] ester
  • (6S)-6β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2′-phosphate
  • (6S)-6β-ヒドロキシ-1,4,5,6-テトラヒドロニコチンアミド-アデニンジヌクレオチド2′-りん酸
KEGG COMPOUND： C04899
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