[(1R,2R,3S,4S)-4-{5-cyano-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl}-2,3-dihydroxycyclopentyl]methyl phosphate

Properties Image MNX_ID MNXM10482 reference metacycM:CPD-13097 formula C12H11N4O8P global charge -2 mol weight 370.214 InChIKey SLSLAOAWXDQJRN-PPSWKLDYSA-L InChI InChI=1S/C12H13N4O8P/c13-1-5-2-16(10-7(5)11(19)15-4-14-10)12-9(18)8(17)6(24-12)3-23-25(20,21)22/h2,4,6,8-9,12,17-18H,3H2,(H,14,15,19)(H2,20,21,22)/p-2/t6-,8-,9-,12+/m1/s1 SMILES N#CC1=CN([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C(=O)NC=N2 MNX internals InChI (mnx) InChI=1/C12H13N4O8P/c13-1-5-2-16(10-7(5)11(19)15-4-14-10)12-9(18)8(17)6(24-12)3-23-25(20,21)22/h2,4,6,8-9,12,17-18H,3H2,(H,14,15,19)(H2,20,21,22)/t6-,8-,9-,12+/m1/s1 SMILES (mnx) [C:1]([C:5]1=[CH:2][N:16]([C@@H:12]2[C@H:9]([OH:18])[C@H:8]([OH:17])[C@@H:6]([CH2:3][O:23][P:25]([OH:20])([OH:21])=[O:22])[O:24]2)[C:10]2=[C:7]1[C:11]([OH:19])=[N:15][CH:4]=[N:14]2)#[N:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0