[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-[(6S)-3-carbamoyl-6-hydroxy-5,6-dihydro-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
Molecular Formula:
C21H32N7O15P2+
InChI: InChI=1/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p+1/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1/fC21H32N7O15P2/h27,35,37H,22-23H2/q+1
InChIKey: InChIKey=IDBZKGQRLBFUFQ-NWZQKKQNDZ
SMILES: C1CC(=C[NH+](C1O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N
Names:
C04856
(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adeninedinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-[(6S)-3-carbamoyl-6-hydroxy-5,6-dihydro-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
Registries:
PubChem CID 440515
PubChem ID 7411
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