InChIKey: KPVQNXLUPNWQHM-RBEMOOQDSA-N
CanonicalSMILES: CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
IUPAC Name: [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
InChI: InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
Synonyms: APAD; Acetylpyridine adenine dinucleotide; Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt; 3-Acetyl-1-β-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-diphosphate, inner salt; Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium hydroxide, inner salt; Adenosine 5'-(trihydrogen pyrophosphate), 5'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium hydroxide, inner salt; Pyridinium, 3-acetyl-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt; 3-Acetyl NAD; 3-Acetylpyridine NAD; Diphosphopyridine nucleotide, 1-(3-pyridinyl)ethanone analog; Nicotinamide acetylpyridine dinucleotide; Nicotinamide-adenine dinucleotide, 3-acetyl analog; NSC 20275; Reduced acetylpyridine adenine dinucleotide