SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE

Molecular Formula: C21H27N7NaO17P3


InChI: InChI=1/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1/fC21H27N7O17P3.Na/h33,38H,22-23H2;/q-1;m

InChIKey: InChIKey=JNUMDLCHLVUHFS-MNHNFNENDT
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)N.[Na+]

Names:
    cofactor in aryl and steroidal hydroxylation
    SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
    sodium [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(hydroxy-oxido-phosphoryl)oxy-oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 5702267
    PubChem ID 8150053