ADP-alpha-D-ribose 1''-phosphate

Properties Image MNX_ID MNXM5039 reference chebi:58753 formula C15H20N5O17P3 global charge -4 mol weight 635.265 InChIKey CUNFRFHBHMFVPH-KEOHHSTQSA-J InChI InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/p-4/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:5]1[C@@H:8]([OH:21])[C@@H:10]([OH:23])[C@H:14]([N:20]2[CH:4]=[N:19][C:7]3=[C:12]([NH2:16])[N:17]=[CH:3][N:18]=[C:13]32)[O:34]1)[O:32][P:39]([OH:28])(=[O:29])[O:37][P:40]([OH:30])(=[O:31])[O:33][CH2:2][C@@H:6]1[C@@H:9]([OH:22])[C@@H:11]([OH:24])[C@@H:15]([O:36][P:38]([OH:25])([OH:26])=[O:27])[O:35]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3