alpha-NADP(3-)

Properties Image MNX_ID MNXM164519 reference chebi:77018 formula C21H25N7O17P3 global charge -3 mol weight 740.385 InChIKey XJLXINKUBYWONI-OPDHFMQKSA-K InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p-3/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 SMILES NC(=O)C1=CC=C[N+]([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:9]([C:18](=[NH:23])[OH:32])=[CH:4][N+:27]([C@@H:20]2[C@H:15]([OH:31])[C@H:13]([OH:29])[C@@H:10]([CH2:5][O:40][P:47]([OH:36])(=[O:37])[O:45][P:48](=[O:38])([O-:39])[O:41][CH2:6][C@@H:11]3[C@@H:14]([OH:30])[C@@H:16]([O:44][P:46](=[O:33])([OH:34])[OH:35])[C@H:21]([N:28]4[CH:8]=[N:26][C:12]5=[C:17]([NH2:22])[N:24]=[CH:7][N:25]=[C:19]54)[O:43]3)[O:42]2)=[CH:3]1

Parent-child relations graph

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