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EVODEX.1-R4269

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:9][P:7]([O:6][C:5]([C:4]([C:2](=[C:1]([H:48])[H:49])[Br:3])([H:46])[H:47])([H:44])[H:45])(=[O:8])[O:10][H:43].[N:11]([C:12]1:[N:13]:[C:14]([H:50]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:51]):[N:20]:2[C@:21]1([H:52])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:53])[O:29][P:30](=[O:31])([O:32][H:54])[O:33][P:34](=[O:35])([O:36][H:55])[O:37][H:56])([H:57])[H:58])([H:59])[C@:38]([O:39][H:60])([H:61])[C@:40]1([O:41][H:62])[H:63])([H:64])[H:65]>>[C:1](=[C:2]([Br:3])[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][P:34](=[O:35])([O:36][H:55])[O:37][H:56])[O:10][H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49].[H][O:33][P:30]([O:29][P:26]([O:25][C:24]([C@@:23]1([H:59])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:64])[H:65]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:40]([O:41][H:62])([H:63])[C@@:38]1([O:39][H:60])[H:61])([H:57])[H:58])(=[O:27])[O:28][H:53])(=[O:31])[O:32][H:54]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
178265 ATP + 3-bromobut-3-en-1-yl phosphate = ADP + 3-bromobut-3-en-1-yl diphosphate False Thermoplasma acidophilum nan 2.7.4.26

Derived Partial Reactions

EVODEX.1-P3551

[H][O:9][P:7]([O:6][C:5]([C:4]([C:2](=[C:1]([H:48])[H:49])[Br:3])([H:46])[H:47])([H:44])[H:45])(=[O:8])[O:10][H:43].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:34](=[O:35])([O:36][H:55])[O:37][H:56]>>[C:1](=[C:2]([Br:3])[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][P:34](=[O:35])([O:36][H:55])[O:37][H:56])[O:10][H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49]

[H][O:9][P:7]([O:6][C:5]([C:4]([C:2](=[C:1]([H:48])[H:49])[Br:3])([H:46])[H:47])([H:44])[H:45])(=[O:8])[O:10][H:43].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:34](=[O:35])([O:36][H:55])[O:37][H:56]>>[C:1](=[C:2]([Br:3])[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][P:34](=[O:35])([O:36][H:55])[O:37][H:56])[O:10][H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49]