CMP-5'-(N-hydroxy-3-aminopropyl)phosphonate

Properties Image MNX_ID MNXM148162 reference chebi:229207 formula C12H20N4O11P2 global charge -2 mol weight 458.257 InChIKey RFUUWOPHUGSHMU-QCNRFFRDSA-L InChI InChI=1S/C12H22N4O11P2/c13-8-2-4-16(12(19)15-8)11-10(18)9(17)7(26-11)6-25-29(23,24)27-28(21,22)5-1-3-14-20/h2,4,7,9-11,14,17-18,20H,1,3,5-6H2,(H,21,22)(H,23,24)(H2,13,15,19)/p-2/t7-,9-,10-,11-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C12H22N4O11P2/c13-8-2-4-16(12(19)15-8)11-10(18)9(17)7(26-11)6-25-29(23,24)27-28(21,22)5-1-3-14-20/h2,4,7,9-11,14,17-18,20H,1,3,5-6H2,(H,21,22)(H,23,24)(H2,13,15,19)/t7-,9-,10-,11-/m1/s1 SMILES (mnx) [CH2:1]([CH2:3][NH:14][OH:20])[CH2:5][P:28]([OH:21])(=[O:22])[O:27][P:29]([OH:23])(=[O:24])[O:25][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:13])[N:15]=[C:12]2[OH:19])[O:26]1

Parent-child relations graph

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