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EVODEX.1-R5479

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
237346 L-Cha-7-amido-4-carbamoylmethylcoumarin + H2O = L-Cha + 7-amino-4-carbamoylmethylcoumarin False Neisseria meningitidis nan 3.4.11.2

Derived Partial Reactions

EVODEX.1-P4659

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:31])[H:32])([C:18]([C:19]2([H:33])[C:20]([H:34])([H:35])[C:21]([H:36])([H:37])[C:22]([H:38])([H:39])[C:23]([H:40])([H:41])[C:24]2([H:42])[H:43])([H:44])[H:45])[H:46]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:28][H:54]>>[C:14](=[O:15])([C@@:16]([N:17]([H:31])[H:32])([C:18]([C:19]1([H:33])[C:20]([H:34])([H:35])[C:21]([H:36])([H:37])[C:22]([H:38])([H:39])[C:23]([H:40])([H:41])[C:24]1([H:42])[H:43])([H:44])[H:45])[H:46])[O:28][H:54]

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:31])[H:32])([C:18]([C:19]2([H:33])[C:20]([H:34])([H:35])[C:21]([H:36])([H:37])[C:22]([H:38])([H:39])[C:23]([H:40])([H:41])[C:24]2([H:42])[H:43])([H:44])[H:45])[H:46]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:28][H:54]>>[C:14](=[O:15])([C@@:16]([N:17]([H:31])[H:32])([C:18]([C:19]1([H:33])[C:20]([H:34])([H:35])[C:21]([H:36])([H:37])[C:22]([H:38])([H:39])[C:23]([H:40])([H:41])[C:24]1([H:42])[H:43])([H:44])[H:45])[H:46])[O:28][H:54]