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EVODEX.1-R5562

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238698 Gly-Pro-7-amido-4-carbamoylmethylcoumarin + H2O = Gly + Pro-7-amido-4-carbamoylmethylcoumarin False Plasmodium falciparum nan 3.4.11.9

Derived Partial Reactions

EVODEX.1-P4750

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4])C([H])([H])C([H])([H])C2([H])[H]):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:49]>>[N:1]([C:2]([C:3](=[O:4])[O:28][H:49])([H:45])[H:46])([H:47])[H:48]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4])C([H])([H])C([H])([H])C2([H])[H]):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:49]>>[N:1]([C:2]([C:3](=[O:4])[O:28][H:49])([H:45])[H:46])([H:47])[H:48]

EVODEX.1-P4751

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4]