EVODEX Logo

EVODEX.1-R4711

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
192309 2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate + 2 H2O = anordiol + 2 propanoate True Homo sapiens O00748 swissprot 3.1.1.1

Derived Partial Reactions

EVODEX.1-P3851

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

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