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EVODEX.1-R5817

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:43]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:44]):[C:12]([H:45]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]3[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]3:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:3[H:60])([H:61])[H:62])[H:63])[H:64])[H:65]):[C:40]([H:66]):[C:41]:1:2)([H:67])[H:68])([H:69])[H:70].[H][O:42][H:71]>>[C:15](=[O:16])([C@:17]1([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:1[H:60])([H:61])[H:62])[H:63])[H:64])[O:42][H:71].[H][N:14]([C:13]1:[C:12]([H:45]):[C:11]([H:44]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:43]):[C:5]([C:4]([C:2]([N:1]([H:69])[H:70])=[O:3])([H:67])[H:68]):[C:41]:2:[C:40]:1[H:66])[H:65]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
243555 Z-Asp-Pro-7-amido-4-carbamoylmethylcoumarin + H2O = Z-Asp-Pro + 7-amino-4-carbamoylmethylcoumarin False Homo sapiens nan 3.4.21.26

Derived Partial Reactions

EVODEX.1-P5039

[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]2:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:2[H:60])([H:61])[H:62])[H:63])[H:64]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H].[H][O:42][H:71]>>[C:15](=[O:16])([C@:17]1([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:1[H:60])([H:61])[H:62])[H:63])[H:64])[O:42][H:71]

[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]2:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:2[H:60])([H:61])[H:62])[H:63])[H:64]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H].[H][O:42][H:71]>>[C:15](=[O:16])([C@:17]1([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26](=[O:27])[O:28][H:53])([H:54])[H:55])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:56]):[C:36]([H:57]):[C:37]([H:58]):[C:38]([H:59]):[C:39]:1[H:60])([H:61])[H:62])[H:63])[H:64])[O:42][H:71]