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EVODEX.1-R6336

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:37])([H:38])[H:39])([H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:79])([H:80])[H:81].[H][O:36][H:82]>>[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:36][H:82])([H:43])[H:44])([H:45])[H:46])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:79])([H:80])[H:81].[H][N:7]([C:8]([C:9]([S:10](=[O:11])(=[O:12])[O:13][H:37])([H:38])[H:39])([H:40])[H:41])[H:42]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255594 tauro-beta-muricholic acid + H2O = beta-muricholate + taurine True Bacteroides thetaiotaomicron nan 3.5.1.24

Derived Partial Reactions

EVODEX.1-P5605

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:79])([H:80])[H:81])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:45])[H:46])([H:43])[H:44])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:79])([H:80])[H:81])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:45])[H:46])([H:43])[H:44])=[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:79])([H:80])[H:81])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:45])[H:46])([H:43])[H:44])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:79])([H:80])[H:81])([C@@:14]1([H:47])[C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]2([H:52])[C@:18]3([H:53])[C@:19]([O:20][H:54])([H:55])[C@:21]([O:22][H:56])([H:57])[C@:23]4([H:58])[C:24]([H:59])([H:60])[C@@:25]([O:26][H:61])([H:62])[C:27]([H:63])([H:64])[C:28]([H:65])([H:66])[C@:29]4([C:30]([H:67])([H:68])[H:69])[C@@:31]3([H:70])[C:32]([H:71])([H:72])[C:33]([H:73])([H:74])[C@:34]12[C:35]([H:75])([H:76])[H:77])[H:78])([H:45])[H:46])([H:43])[H:44])=[O:6]