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EVODEX.1-R7064

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:18]([C:17]([C:16]([C:15]([C@@:14]1([H:62])[C:2]([C:1]([H:63])([H:64])[H:65])=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@@:12]21[C:13]([H:46])([H:47])[H:48])([H:60])[H:61])([H:58])[H:59])=[C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54])([H:55])[H:56])[H:57])([H:49])[H:50]>>[C:1]([C:2]1=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@:12]2([C:13]([H:46])([H:47])[H:48])[C@:14]1([C:15]([C:16]([C:17](=[C:18]([H:49])[H:50])[C:19](=[C:20]([H:55])[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:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
292790 labda-7,13-dienyl diphosphate = labda-7,13(16),14-triene + diphosphate True Streptomyces clavuligerus B5GRC8 uniprot 4.2.3.192

Derived Partial Reactions

EVODEX.1-P6480

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

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