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EVODEX.1-R4920

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
199302 N-acetyl-4-O-acetylneuraminic acid + H2O = N-acetylneuraminate + acetate False Equus sp. nan 3.1.1.53

Derived Partial Reactions

EVODEX.1-P4076

[H]C([H])([H])C(=O)O[C@:20]1([H:42])[C@:5]([N:4]([C:2]([C:1]([H:44])([H:45])[H:46])=[O:3])[H:43])([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:12][H:29])([H:30])[H:31])[H:32])[H:33])([H:34])[O:13][C@@:14]([O:15][H:35])([C:16](=[O:17])[O:18][H:36])[C:19]1([H:37])[H:38].[H][O:25][H:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:12][H:29])([H:30])[H:31])[H:32])[H:33])([H:34])[O:13][C@@:14]([O:15][H:35])([C:16](=[O:17])[O:18][H:36])[C:19]([H:37])([H:38])[C@@:20]1([O:25][H:47])[H:42])[H:43])([H:44])([H:45])[H:46]

[H]C([H])([H])C(=O)O[C@:20]1([H:42])[C@:5]([N:4]([C:2]([C:1]([H:44])([H:45])[H:46])=[O:3])[H:43])([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:12][H:29])([H:30])[H:31])[H:32])[H:33])([H:34])[O:13][C@@:14]([O:15][H:35])([C:16](=[O:17])[O:18][H:36])[C:19]1([H:37])[H:38].[H][O:25][H:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:12][H:29])([H:30])[H:31])[H:32])[H:33])([H:34])[O:13][C@@:14]([O:15][H:35])([C:16](=[O:17])[O:18][H:36])[C:19]([H:37])([H:38])[C@@:20]1([O:25][H:47])[H:42])[H:43])([H:44])([H:45])[H:46]