Nicotinic acid adenine dinucleotide phosphate

Molecular Formula: C₂₁H₂₈N₆O₁₈P₃⁺

InChI: InChI=1/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)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1/fC21H28N6O18P3/h31,33-34,36,38H,22H2/q+1

InChIKey: InChIKey=QOTXBMGJKFVZRD-AUSVDMJUDU
SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)O

Names:
    C13051
    NAADP
    Nicotinic acid adenine dinucleotide phosphate
    1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridine-5-carboxylic acid
    5502-96-5

Registries:
    PubChem CID 123953
    PubChem ID 583440