Chem
J-GLOBAL ID:200907055204669014   Nikkaji number:J788.134G

Nicotinamide guanine dinucleotide

ニコチンアミドグアニンジヌクレオチド
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: C21H27N6[N+]O14[O-]P2
Molecular formula furigana: C21-H27-N7-O15-P2
Molecular weight: 679.429
InChI: InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
InChI key: NCFRZZVNRVEQJK-NAJQWHGHSA-N
SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 3-(アミノカルボニル)-1-[5-O-[(5′-グアニリルオキシ)オキシラトホスフィニル]-β-D-リボフラノシル]ピリジニウム
  • 1-[(2R,3R,4S,5R)-5-{[({[(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)-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 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-カルバモイル-1λ5-ピリジン-1-イリウム
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1λ5-pyridin-1-ylium
Other name (4):
  • ニコチンアミドグアニンジヌクレオチド
  • Nicotinamide guanine dinucleotide
  • NGD+
  • 3-(Aminocarbonyl)-1-[5-O-[(5′-guanylyloxy)oxylatophosphinyl]-β-D-ribofuranosyl]pyridinium
CAS registry number: 5624-35-1
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