Chem
J-GLOBAL ID：200907044299694809   Nikkaji number：J634.565D

NAADP

NAADP
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： C21H27N5[N+]O17[O-]P3
Molecular formula furigana： C21-H27-N6-O18-P3
Molecular weight： 744.392
InChI： InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI key： QOTXBMGJKFVZRD-HISDBWNOSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(=O)O)[C@@H](O)[C@H]1OP(=O)(O)O
Systematic name  (3)：
  • 1-[5-O-[(2′-O-ホスホノ-5′-アデニリルオキシ)オキシラトホスフィニル]-β-D-リボフラノシル]-3-カルボキシピリジニウム
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3-ヒドロキシ-4-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル ホスホナト)オキシ]メチル}-3,4-ジヒドロキシオキソラン-2-イル]-3-カルボキシ-1λ5-ピリジン-1-イリウム
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1λ5-pyridin-1-ylium
Other name (7)：
  • ニコチン酸-アデニンジヌクレオチドりん酸
  • Nicotic acid-adenine dinucleotide phosphate
  • NAADP
  • Nicotinate adenine dinucleotide phosphate
  • 1-[5-O-[(2′-O-Phosphono-5′-adenylyloxy)oxylatophosphinyl]-β-D-ribofuranosyl]-3-carboxypyridinium
Show all
CAS registry number： 5502-96-5
KEGG COMPOUND： C13051
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