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EVODEX.1-R7153

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
302959 (25S)-3,7,12-trihydroxycoprostanoic acid = (25R)-3,7,12-trihydroxycoprostanoic acid {r} False Mycobacterium tuberculosis O06543 uniprot 5.1.99.4

Derived Partial Reactions

EVODEX.1-P6572

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

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