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EVODEX.1-R5788

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
243062 benzyloxycarbonyl-Glu-methyl ester + L-tryptophan = benzyloxycarbonyl-Glu-Trp + methanol False Staphylococcus aureus nan 3.4.21.19

Derived Partial Reactions

EVODEX.1-P5006

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:50]):[N:27]([H:51]):[C:28]2:[C:29]([H:52]):[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]:1:2)([H:56])[H:57])([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])N([H])C(=O)OC([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:50]):[N:27]([H:51]):[C:28]2:[C:29]([H:52]):[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]:1:2)([H:56])[H:57])([C:34](=[O:35])[O:36][H:58])[H:59])[H:60]

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:50]):[N:27]([H:51]):[C:28]2:[C:29]([H:52]):[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]:1:2)([H:56])[H:57])([C:34](=[O:35])[O:36][H:58])[H:59])[H:60])N([H])C(=O)OC([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:22]([C@@:23]([C:24]([C:25]1:[C:26]([H:50]):[N:27]([H:51]):[C:28]2:[C:29]([H:52]):[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]:1:2)([H:56])[H:57])([C:34](=[O:35])[O:36][H:58])[H:59])[H:60]