CMP-(2-aminoethyl)phosphonate

Properties Image MNX_ID MNXM1103498 reference chebi:147307 formula C11H19N4O10P2 global charge -1 mol weight 429.239 InChIKey FBADRUOBFLBKJQ-PEBGCTIMSA-M InChI InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/p-1/t6-,8-,9-,10-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CC[NH3+])[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][N:15]([C@H:10]2[C@H:9]([OH:17])[C@H:8]([OH:16])[C@@H:6]([CH2:5][O:23][P:27]([OH:21])(=[O:22])[O:25][P:26]([CH2:4][CH2:2][NH2:12])([OH:19])=[O:20])[O:24]2)[C:11]([OH:18])=[N:14][C:7]1=[NH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 2