UDP-2,3-dideoxy-2-acetamido-3-acetamidino-alpha-D-mannuronic acid

Properties Image MNX_ID MNXM1100720 reference keggC:C22246 formula C19H29N5O17P2 global charge 0 mol weight 661.407 InChIKey MZPFKUNCKIWISV-ZVWGYSLJSA-N InChI InChI=1S/C19H29N5O17P2/c1-6(20)21-10-11(22-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)24-4-3-9(26)23-19(24)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H2,20,21)(H,22,25)(H,30,31)(H,33,34)(H,35,36)(H,23,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1 SMILES CC(=N)N[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C19H29N5O17P2/c1-6(20)21-10-11(22-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)24-4-3-9(26)23-19(24)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H2,20,21)(H,22,25)(H,30,31)(H,33,34)(H,35,36)(H,23,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1 SMILES (mnx) [CH3:1][C:6](=[NH:20])[NH:21][C@@H:10]1[C@H:11]([N:22]=[C:7]([CH3:2])[OH:25])[C@@H:18]([O:40][P:43]([OH:35])(=[O:36])[O:41][P:42]([OH:33])(=[O:34])[O:37][CH2:5][C@@H:8]2[C@@H:12]([OH:27])[C@@H:14]([OH:29])[C@H:16]([N:24]3[CH:4]=[CH:3][C:9]([OH:26])=[N:23][C:19]3=[O:32])[O:38]2)[O:39][C@H:15]([C:17](=[O:30])[OH:31])[C@H:13]1[OH:28]

Parent-child relations graph

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