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EVODEX.1-R5563

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64].[H][O:35][H:65]>>[H][N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55].[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[O:35][H:65])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238700 L-Arg-Pro-7-amido-4-carbamoylmethylcoumarin + H2O = L-Arg + Pro-7-amido-4-carbamoylmethylcoumarin False Plasmodium falciparum nan 3.4.11.9

Derived Partial Reactions

EVODEX.1-P4752

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11])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:35][H:65]>>[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[O:35][H:65])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11])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:35][H:65]>>[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[O:35][H:65])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]

EVODEX.1-P4753

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11])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:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11])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:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11]

EVODEX.1-P4754

[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]>>[H][N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55].[H]O[C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11]

[N:1](=[C:2]([N:3]([H:36])[H:37])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:38])[H:39])([C:10](=[O:11])[N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]>>[H][N:12]1[C:13]([H:40])([H:41])[C:14]([H:42])([H:43])[C:15]([H:44])([H:45])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]2:[C:24]([C:25]([C:26]([N:27]([H:48])[H:49])=[O:28])([H:50])[H:51]):[C:29]([H:52]):[C:30](=[O:31]):[O:32]:[C:33]:2:[C:34]:1[H:53])[H:54])[H:55].[H]O[C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:64])[N:3]([H:36])[H:37])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:9]([H:38])[H:39])[H:56])=[O:11]