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

Properties Image MNX_ID MNXM148160 reference chebi:229208 formula C14H22N4O12P2 global charge -2 mol weight 500.294 InChIKey HITZUCVQZISFQN-OJAKKHQRSA-L InChI InChI=1S/C14H24N4O12P2/c1-8(19)18(23)4-2-6-31(24,25)30-32(26,27)28-7-9-11(20)12(21)13(29-9)17-5-3-10(15)16-14(17)22/h3,5,9,11-13,20-21,23H,2,4,6-7H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/p-2/t9-,11-,12-,13-/m1/s1 SMILES CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H24N4O12P2/c1-8(19)18(23)4-2-6-31(24,25)30-32(26,27)28-7-9-11(20)12(21)13(29-9)17-5-3-10(15)16-14(17)22/h3,5,9,11-13,20-21,23H,2,4,6-7H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t9-,11-,12-,13-/m1/s1 SMILES (mnx) [CH3:1][C:8]([N:18]([CH2:4][CH2:2][CH2:6][P:31]([OH:24])(=[O:25])[O:30][P:32]([OH:26])(=[O:27])[O:28][CH2:7][C@@H:9]1[C@@H:11]([OH:20])[C@@H:12]([OH:21])[C@H:13]([N:17]2[CH:5]=[CH:3][C:10](=[NH:15])[N:16]=[C:14]2[OH:22])[O:29]1)[OH:23])=[O:19]

Parent-child relations graph

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