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EVODEX.1-R5815

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
243549 Z-Ala-Pro-7-amido-4-carbamoylmethylcoumarin + H2O = Z-Ala-Pro + 7-amino-4-carbamoylmethylcoumarin False Homo sapiens nan 3.4.21.26

Derived Partial Reactions

EVODEX.1-P5037

[H]C1:C(N([H])[C:21]([C@@:20]2([H:63])[N:16]([C:14]([C@:2]([C:1]([H:65])([H:66])[H:67])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]3:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:3[H:44])([H:45])[H:46])[H:47])[H:64])=[O:15])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C:19]2([H:52])[H:53])=[O:22]):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:21]([C@@:20]1([H:63])[N:16]([C:14]([C@:2]([C:1]([H:65])([H:66])[H:67])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]2:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:2[H:44])([H:45])[H:46])[H:47])[H:64])=[O:15])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C:19]1([H:52])[H:53])=[O:22]

[H]C1:C(N([H])[C:21]([C@@:20]2([H:63])[N:16]([C:14]([C@:2]([C:1]([H:65])([H:66])[H:67])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]3:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:3[H:44])([H:45])[H:46])[H:47])[H:64])=[O:15])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C:19]2([H:52])[H:53])=[O:22]):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:21]([C@@:20]1([H:63])[N:16]([C:14]([C@:2]([C:1]([H:65])([H:66])[H:67])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]2:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:2[H:44])([H:45])[H:46])[H:47])[H:64])=[O:15])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C:19]1([H:52])[H:53])=[O:22]