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EVODEX.1-R5530

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238009 L-Met-OMe + beta-Ala-OBzl + beta-Ala-OBzl = beta-Ala-L-Met-beta-Ala-OBzl + benzyl alcohol + methanol False Streptomyces thermocyaneoviolaceus nan 3.4.11.24

Derived Partial Reactions

EVODEX.1-P4712

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

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