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EVODEX.1-R6342

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255925 3,12-dioxo-5beta-cholanoyltaurine + H2O = 3,12-dioxo-5beta-cholanate + taurine False Clostridium perfringens nan 3.5.1.24

Derived Partial Reactions

EVODEX.1-P5611

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

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