SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:31][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([C:25](=[O:26])[O:27][H:45])([O:31][H:54])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 221261 | 4-nitrophenyl alpha-D-N-acetylneuraminic acid + H2O = 4-nitrophenol + N-acetylneuraminic acid | False | Bacteroides thetaiotaomicron | Q8AAK9 | uniprot | 3.2.1.18 |
Derived Partial Reactions
EVODEX.1-P4414
[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:31][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([C:25](=[O:26])[O:27][H:45])([O:31][H:54])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]](../images/EVODEX.1-P4414.svg)
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:31][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([C:25](=[O:26])[O:27][H:45])([O:31][H:54])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]
EVODEX.1-P4415
![[H]OC(=O)[C@]1([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])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:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]](../images/EVODEX.1-P4415.svg)
[H]OC(=O)[C@]1([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])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:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]
EVODEX.1-P4416
[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53]>>[H]O[C@:14]1([C:25](=[O:26])[O:27][H:45])[O:13][C@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[C@@:5]([N:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])[H:50])([H:32])[C@:29]([O:30][H:48])([H:49])[C:28]1([H:46])[H:47].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]](../images/EVODEX.1-P4416.svg)
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53]>>[H]O[C@:14]1([C:25](=[O:26])[O:27][H:45])[O:13][C@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[C@@:5]([N:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])[H:50])([H:32])[C@:29]([O:30][H:48])([H:49])[C:28]1([H:46])[H:47].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]