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EVODEX.1-R7063

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
292789 (+)-copalyl diphosphate = labda-8(17),13(16),14-triene + diphosphate True Streptomyces clavuligerus B5GRC8 uniprot 4.2.3.192

Derived Partial Reactions

EVODEX.1-P6479

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

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