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EVODEX.1-R256

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C@@:17]12[C@:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]1([H:29])[C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]1=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]31[C:16]([H:39])([H:40])[H:41])[C@:20]([O:21][H:47])([H:48])[C:19]([H:45])([H:46])[C:18]2([H:43])[H:44].[O:22]([O:23][H:52])[H:53]>>[C:1]([C@:2]12[C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]([H:29])([C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]4=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]34[C:16]([H:39])([H:40])[H:41])[C@@:17]1([O:22][H:53])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C@@:20]2([O:21][H:47])[H:48])([H:49])([H:50])[H:51].[H][O:23][H:52]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
38150 testosterone + H2O2 = 17beta-hydroxy-4,5-epoxy-5beta-androstan-3-one + 16alpha,17beta-dihydroxyandrost-4-en-3-one + H2O False Chaetomium globosum Q2HHI5 uniprot 1.11.2.1

Derived Partial Reactions

EVODEX.1-P209

[H][C@@:17]12[C@:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]1([H:29])[C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]1=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]31[C:16]([H:39])([H:40])[H:41])[C@:20]([O:21][H:47])([H:48])[C:19]([H:45])([H:46])[C:18]2([H:43])[H:44].[O:22]([O:23][H:52])[H:53]>>[C:1]([C@:2]12[C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]([H:29])([C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]4=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]34[C:16]([H:39])([H:40])[H:41])[C@@:17]1([O:22][H:53])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C@@:20]2([O:21][H:47])[H:48])([H:49])([H:50])[H:51].[H][O:23][H:52]

[H][C@@:17]12[C@:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]1([H:29])[C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]1=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]31[C:16]([H:39])([H:40])[H:41])[C@:20]([O:21][H:47])([H:48])[C:19]([H:45])([H:46])[C:18]2([H:43])[H:44].[O:22]([O:23][H:52])[H:53]>>[C:1]([C@:2]12[C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]([H:29])([C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]4=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]34[C:16]([H:39])([H:40])[H:41])[C@@:17]1([O:22][H:53])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C@@:20]2([O:21][H:47])[H:48])([H:49])([H:50])[H:51].[H][O:23][H:52]

EVODEX.1-P210

[H][C@@:17]12[C@:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]1([H:29])[C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]1=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]31[C:16]([H:39])([H:40])[H:41])[C@:20]([O:21][H:47])([H:48])[C:19]([H:45])([H:46])[C:18]2([H:43])[H:44].[H]O[O:22][H:53]>>[C:1]([C@:2]12[C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]([H:29])([C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]4=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]34[C:16]([H:39])([H:40])[H:41])[C@@:17]1([O:22][H:53])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C@@:20]2([O:21][H:47])[H:48])([H:49])([H:50])[H:51]

[H][C@@:17]12[C@:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]1([H:29])[C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]1=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]31[C:16]([H:39])([H:40])[H:41])[C@:20]([O:21][H:47])([H:48])[C:19]([H:45])([H:46])[C:18]2([H:43])[H:44].[H]O[O:22][H:53]>>[C:1]([C@:2]12[C:3]([H:24])([H:25])[C:4]([H:26])([H:27])[C@@:5]3([H:28])[C@@:6]([H:29])([C:7]([H:30])([H:31])[C:8]([H:32])([H:33])[C:9]4=[C:10]([H:34])[C:11](=[O:12])[C:13]([H:35])([H:36])[C:14]([H:37])([H:38])[C@:15]34[C:16]([H:39])([H:40])[H:41])[C@@:17]1([O:22][H:53])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C@@:20]2([O:21][H:47])[H:48])([H:49])([H:50])[H:51]