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EVODEX.1-R5767

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
242184 Ala-Ala-Phe-7-amido-4-methylcoumarin + H2O = Ala-Ala-Phe + 7-amino-4-methylcoumarin False Bos taurus P00766 uniprot 3.4.21.1

Derived Partial Reactions

EVODEX.1-P4986

[H]O[C:20]([C@@:12]([N:11]([C:9]([C@@:7]([N:6]([C:4]([C@:2]([C:1]([H:54])([H:55])[H:56])([N:3]([H:36])[H:37])[H:53])=[O:5])[H:52])([C:8]([H:38])([H:39])[H:40])[H:51])=[O:10])[H:50])([C:13]([C:14]1:[C:15]([H:41]):[C:16]([H:42]):[C:17]([H:43]):[C:18]([H:44]):[C:19]:1[H:45])([H:46])[H:47])[H:49])=[O:21]>>[H]C1:C(N([H])[C:20]([C@@:12]([N:11]([C:9]([C@@:7]([N:6]([C:4]([C@:2]([C:1]([H:54])([H:55])[H:56])([N:3]([H:36])[H:37])[H:53])=[O:5])[H:52])([C:8]([H:38])([H:39])[H:40])[H:51])=[O:10])[H:50])([C:13]([C:14]2:[C:15]([H:41]):[C:16]([H:42]):[C:17]([H:43]):[C:18]([H:44]):[C:19]:2[H:45])([H:46])[H:47])[H:49])=[O:21]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]

[H]O[C:20]([C@@:12]([N:11]([C:9]([C@@:7]([N:6]([C:4]([C@:2]([C:1]([H:54])([H:55])[H:56])([N:3]([H:36])[H:37])[H:53])=[O:5])[H:52])([C:8]([H:38])([H:39])[H:40])[H:51])=[O:10])[H:50])([C:13]([C:14]1:[C:15]([H:41]):[C:16]([H:42]):[C:17]([H:43]):[C:18]([H:44]):[C:19]:1[H:45])([H:46])[H:47])[H:49])=[O:21]>>[H]C1:C(N([H])[C:20]([C@@:12]([N:11]([C:9]([C@@:7]([N:6]([C:4]([C@:2]([C:1]([H:54])([H:55])[H:56])([N:3]([H:36])[H:37])[H:53])=[O:5])[H:52])([C:8]([H:38])([H:39])[H:40])[H:51])=[O:10])[H:50])([C:13]([C:14]2:[C:15]([H:41]):[C:16]([H:42]):[C:17]([H:43]):[C:18]([H:44]):[C:19]:2[H:45])([H:46])[H:47])[H:49])=[O:21]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]