CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonate

Properties Image MNX_ID MNXM148163 reference chebi:91089 formula C17H26N4O14P global charge -1 mol weight 541.383 InChIKey DRAKZHNWGXXUTP-XKKDATLGSA-M InChI InChI=1S/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/p-1/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)C[NH3+])O3)[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:21]([C@H:14]2[C@H:12]([OH:26])[C@H:11]([OH:25])[C@@H:8]([CH2:5][O:32][P:36]([OH:30])(=[O:31])[O:35][C@:17]3([C:15](=[O:27])[OH:28])[CH2:3][C@@H:6]([OH:22])[C@@H:10]([OH:24])[C@@H:13]([C@@H:7]([CH2:4][NH2:18])[OH:23])[O:34]3)[O:33]2)[C:16]([OH:29])=[N:20][C:9]1=[NH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1