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EVODEX.1-R6339

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C:8]([C:9]([S:10](=[O:11])(=[O:12])[O:13][H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[H][O:34][H:78]>>[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:34][H:78])([H:41])[H:42])([H:43])[H:44])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[H][N:7]([C:8]([C:9]([S:10](=[O:11])(=[O:12])[O:13][H:35])([H:36])[H:37])([H:38])[H:39])[H:40]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255911 3-oxo-5beta-cholanoyltaurine + H2O = 3-oxo-5beta-cholanate + taurine False Clostridium perfringens nan 3.5.1.24

Derived Partial Reactions

EVODEX.1-P5608

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:75])([H:76])[H:77])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:43])[H:44])([H:41])[H:42])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:75])([H:76])[H:77])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:43])[H:44])([H:41])[H:42])=[O:6]

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:75])([H:76])[H:77])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:43])[H:44])([H:41])[H:42])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:75])([H:76])[H:77])([C@@:14]1([H:45])[C:15]([H:46])([H:47])[C:16]([H:48])([H:49])[C@@:17]2([H:50])[C@:18]3([H:51])[C:19]([H:52])([H:53])[C:20]([H:54])([H:55])[C@:21]4([H:56])[C:22]([H:57])([H:58])[C:23](=[O:24])[C:25]([H:59])([H:60])[C:26]([H:61])([H:62])[C@:27]4([C:28]([H:63])([H:64])[H:65])[C@@:29]3([H:66])[C:30]([H:67])([H:68])[C:31]([H:69])([H:70])[C@:32]12[C:33]([H:71])([H:72])[H:73])[H:74])([H:43])[H:44])([H:41])[H:42])=[O:6]