[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-[(6S)-3-carbamoyl-6-hydroxy-5,6-dihydro-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Molecular Formula:
C21H33N7O18P3+
InChI: InChI=1/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/p+1/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1/fC21H33N7O18P3/h27,34-35,37,39H,22-23H2/q+1
InChIKey: InChIKey=SZKXTJUOKARGIY-NSBNRVBWDJ
SMILES: C1CC(=C[NH+](C1O)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
Names:
C04899
(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adeninedinucleotide 2'-phosphate
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-[(6S)-3-carbamoyl-6-hydroxy-5,6-dihydro-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Registries:
PubChem CID 440535
PubChem ID 7449
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