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EVODEX.1-R5395

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]1[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@:11]1([H:32])[C@:12]2([H:33])[C:13]([H:34])([H:35])[C:14]([H:36])([H:37])[C@:15]2([C:16]([H:38])([H:39])[H:40])[C:17]3([H:41])[O:18][C:19]3([H:42])[C:20]([H:43])([H:44])[C@@:21]12[H:45])([H:46])([H:47])[H:48].[H][O:22][H:49]>>[H][O:18][C:17]1([H:41])[C@@:15]2([C:16]([H:38])([H:39])[H:40])[C:14]([H:36])([H:37])[C:13]([H:34])([H:35])[C@:12]3([H:33])[C@@:2]4([C:1]([H:46])([H:47])[H:48])[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]4[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@@:11]3([H:32])[C@:21]2([H:45])[C:20]([H:43])([H:44])[C:19]1([O:22][H:49])[H:42]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236007 16,17-epoxyandrost-4-en-3-one + H2O = 16,17-dihydroxyandrost-4-en-3-one True Mus musculus nan 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4560

[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]1[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@:11]1([H:32])[C@:12]2([H:33])[C:13]([H:34])([H:35])[C:14]([H:36])([H:37])[C@:15]2([C:16]([H:38])([H:39])[H:40])[C:17]3([H:41])[O:18][C:19]3([H:42])[C:20]([H:43])([H:44])[C@@:21]12[H:45])([H:46])([H:47])[H:48].[H][O:22][H:49]>>[H][O:18][C:17]1([H:41])[C@@:15]2([C:16]([H:38])([H:39])[H:40])[C:14]([H:36])([H:37])[C:13]([H:34])([H:35])[C@:12]3([H:33])[C@@:2]4([C:1]([H:46])([H:47])[H:48])[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]4[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@@:11]3([H:32])[C@:21]2([H:45])[C:20]([H:43])([H:44])[C:19]1([O:22][H:49])[H:42]

[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]1[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@:11]1([H:32])[C@:12]2([H:33])[C:13]([H:34])([H:35])[C:14]([H:36])([H:37])[C@:15]2([C:16]([H:38])([H:39])[H:40])[C:17]3([H:41])[O:18][C:19]3([H:42])[C:20]([H:43])([H:44])[C@@:21]12[H:45])([H:46])([H:47])[H:48].[H][O:22][H:49]>>[H][O:18][C:17]1([H:41])[C@@:15]2([C:16]([H:38])([H:39])[H:40])[C:14]([H:36])([H:37])[C:13]([H:34])([H:35])[C@:12]3([H:33])[C@@:2]4([C:1]([H:46])([H:47])[H:48])[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C:5](=[O:6])[C:7]([H:27])=[C:8]4[C:9]([H:28])([H:29])[C:10]([H:30])([H:31])[C@@:11]3([H:32])[C@:21]2([H:45])[C:20]([H:43])([H:44])[C:19]1([O:22][H:49])[H:42]