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EVODEX.1-R43

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][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]>>[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C@@:5]([O:6][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
4444 5alpha-androstane-3beta,7beta,17beta-triol + NADP+ = 5alpha-androstane-3beta,7alpha,17beta-triol + NADP {r} False Homo sapiens nan 1.1.1.146

Derived Partial Reactions

EVODEX.1-P35

[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C@@:5]([O:6][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]>>[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C@@:5]([O:6][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]

[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C@@:5]([O:6][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]>>[C:1]([C@:2]12[C:3]([H:23])([H:24])[C:4]([H:25])([H:26])[C@@:5]([O:6][H:27])([H:28])[C:7]([H:29])([H:30])[C@:8]1([H:31])[C:9]([H:32])([H:33])[C@:10]([O:11][H:34])([H:35])[C@:12]1([H:36])[C@:13]2([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]2([C:17]([H:42])([H:43])[H:44])[C@:18]([O:19][H:45])([H:46])[C:20]([H:47])([H:48])[C:21]([H:49])([H:50])[C@@:22]12[H:51])([H:52])([H:53])[H:54]