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EVODEX.1-R5249

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@:9]([O:10][C:11]2:[C:12]([H:40]):[C:13]([H:41]):[C:14]3:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:3:[C:22]:2[H:46])([C:23](=[O:24])[O:25][H:47])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:34][H:60]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@@:9]([C:23](=[O:24])[O:25][H:47])([O:34][H:60])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:10][C:11]1:[C:12]([H:40]):[C:13]([H:41]):[C:14]2:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:2:[C:22]:1[H:46]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
221245 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-methylumbelliferone + N-acetyl-alpha-D-neuraminic acid False Salmonella enterica subsp. enterica serovar Typhimurium nan 3.2.1.18

Derived Partial Reactions

EVODEX.1-P4412

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@:9]([O:10][C:11]2:[C:12]([H:40]):[C:13]([H:41]):[C:14]3:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:3:[C:22]:2[H:46])([C:23](=[O:24])[O:25][H:47])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:34][H:60]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@@:9]([C:23](=[O:24])[O:25][H:47])([O:34][H:60])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:10][C:11]1:[C:12]([H:40]):[C:13]([H:41]):[C:14]2:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:2:[C:22]:1[H:46]

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@:9]([O:10][C:11]2:[C:12]([H:40]):[C:13]([H:41]):[C:14]3:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:3:[C:22]:2[H:46])([C:23](=[O:24])[O:25][H:47])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:34][H:60]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:35])[C@:6]([O:7][H:36])([H:37])[C:8]([H:38])([H:39])[C@@:9]([C:23](=[O:24])[O:25][H:47])([O:34][H:60])[O:26][C@:27]1([C:28]([O:29][H:48])([C@:30]([O:31][H:49])([C:32]([O:33][H:50])([H:51])[H:52])[H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:10][C:11]1:[C:12]([H:40]):[C:13]([H:41]):[C:14]2:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:2:[C:22]:1[H:46]

EVODEX.1-P4413

[H]OC(=O)[C@]1([O:10][C:11]2:[C:12]([H:40]):[C:13]([H:41]):[C:14]3:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:3:[C:22]:2[H:46])O[C@@]([H])(C([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]>>[H][O:10][C:11]1:[C:12]([H:40]):[C:13]([H:41]):[C:14]2:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:2:[C:22]:1[H:46]

[H]OC(=O)[C@]1([O:10][C:11]2:[C:12]([H:40]):[C:13]([H:41]):[C:14]3:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:3:[C:22]:2[H:46])O[C@@]([H])(C([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]>>[H][O:10][C:11]1:[C:12]([H:40]):[C:13]([H:41]):[C:14]2:[C:15]([C:16]([H:42])([H:43])[H:44]):[C:17]([H:45]):[C:18](=[O:19]):[O:20]:[C:21]:2:[C:22]:1[H:46]