nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate

More details:

• Systematic name

  [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphate

• SMILES

  c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4[nH]cnc5=O)OP(=O)(O)O)O)O)O)C(=O)N

• Std. InChi

  InChI=1S/C21H27N6O18P3/c22-17(31)9-2-1-3-26(4-9)20-15(30)13(28)10(42-20)5-40-47(36,37)45-48(38,39)41-6-11-14(29)16(44-46(33,34)35)21(43-11)27-8-25-12-18(27)23-7-24-19(12)32/h1-4,7-8,10-11,13-16,20-21,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

• Std. InChIKey

  WKSUSMNNBQFESD-NNYOXOHSSA-N

• Cite this record

  CSID:4883422, http://www.chemspider.com/Chemical-Structure.4883422.html (accessed 11:57, Apr 26, 2024)