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EVODEX.1-R5435

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236809 L-methionyl 7-amido-4-carbamoylmethylcoumarin + H2O = L-methionine + 7-amino-4-carbamoylmethylcoumarin False Helicobacter pylori O25294 uniprot 3.4.11.10

Derived Partial Reactions

EVODEX.1-P4609

[H]C1:C(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([N:6]([H:26])[H:27])[H:37])=[O:8]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:25][H:45]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:26])[H:27])([C:7](=[O:8])[O:25][H:45])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44]

[H]C1:C(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([N:6]([H:26])[H:27])[H:37])=[O:8]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:25][H:45]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:26])[H:27])([C:7](=[O:8])[O:25][H:45])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44]