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EVODEX.1-R6338

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:29](=[O:30])[N:31]([C:32]([C:33]([S:34](=[O:35])(=[O:36])[O:37][H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86])([H:87])([H:88])[H:89].[H][O:38][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:29](=[O:30])[O:38][H:90])[H:86])([H:87])([H:88])[H:89].[H][N:31]([C:32]([C:33]([S:34](=[O:35])(=[O:36])[O:37][H:80])([H:81])[H:82])([H:83])[H:84])[H:85]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255909 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyltaurine + H2O = 3alpha,7alpha-dihydroxy-5beta-cholestanate + taurine False Clostridium perfringens nan 3.5.1.24

Derived Partial Reactions

EVODEX.1-P5607

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:29]([C:2]([C:1]([H:87])([H:88])[H:89])([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:86])=[O:30].[H][O:38][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:29](=[O:30])[O:38][H:90])[H:86])([H:87])([H:88])[H:89]

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:29]([C:2]([C:1]([H:87])([H:88])[H:89])([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:86])=[O:30].[H][O:38][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:29](=[O:30])[O:38][H:90])[H:86])([H:87])([H:88])[H:89]