CMP-5'-(3-aminopropyl)phosphonate

Properties Image MNX_ID MNXM148161 reference chebi:229206 formula C12H21N4O10P2 global charge -1 mol weight 443.266 InChIKey OGKREJFVUHDHTP-QCNRFFRDSA-M InChI InChI=1S/C12H22N4O10P2/c13-3-1-5-27(20,21)26-28(22,23)24-6-7-9(17)10(18)11(25-7)16-4-2-8(14)15-12(16)19/h2,4,7,9-11,17-18H,1,3,5-6,13H2,(H,20,21)(H,22,23)(H2,14,15,19)/p-1/t7-,9-,10-,11-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C12H22N4O10P2/c13-3-1-5-27(20,21)26-28(22,23)24-6-7-9(17)10(18)11(25-7)16-4-2-8(14)15-12(16)19/h2,4,7,9-11,17-18H,1,3,5-6,13H2,(H,20,21)(H,22,23)(H2,14,15,19)/t7-,9-,10-,11-/m1/s1 SMILES (mnx) [CH2:1]([CH2:3][NH2:13])[CH2:5][P:27]([OH:20])(=[O:21])[O:26][P:28]([OH:22])(=[O:23])[O:24][CH2:6][C@@H:7]1[C@@H:9]([OH:17])[C@@H:10]([OH:18])[C@H:11]([N:16]2[CH:4]=[CH:2][C:8](=[NH:14])[N:15]=[C:12]2[OH:19])[O:25]1

Parent-child relations graph

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