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EVODEX.1-R447

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[HH].[H][C:47]1([H:83])[C:7]([C:5]([N:4]([H:85])[H:86])=[O:6])=[C:8]([H:58])[N:9]([C@:10]2([H:59])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:60])[O:18][P:19](=[O:20])([O:21][H:61])[O:22][C:23]([C@@:24]3([H:62])[O:25][C@:26]([N:27]4:[C:28]([H:63]):[N:29]:[C:30]5:[C:31]([N:32]([H:64])[H:65]):[N:33]:[C:34]([H:66]):[N:35]:[C:36]:4:5)([H:67])[C@@:37]([O:38][H:68])([H:69])[C@@:39]3([O:40][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@:43]2([O:44][H:79])[H:80])[C:45]([H:81])=[C:46]1[H:82].[O:48]=[O:49]>>[H][O:48][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[N:4]([C:5](=[O:6])[C:7]1:[C:8]([H:58]):[N+:9]([C@:10]2([H:59])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:60])[O:18][P:19](=[O:20])([O:21][H:61])[O:22][C:23]([C@@:24]3([H:62])[O:25][C@:26]([N:27]4:[C:28]([H:63]):[N:29]:[C:30]5:[C:31]([N:32]([H:64])[H:65]):[N:33]:[C:34]([H:66]):[N:35]:[C:36]:4:5)([H:67])[C@@:37]([O:38][H:68])([H:69])[C@@:39]3([O:40][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@:43]2([O:44][H:79])[H:80]):[C:45]([H:81]):[C:46]([H:82]):[C:47]:1[H:83])([H:85])[H:86].[H][O:49][H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
46620 propane + NADH + H+ + O2 = propan-1-ol + NAD+ + H2O False Thauera butanivorans Q8KQE6, Q8KQE7, Q8KQE8, Q8KQE9, Q8KQF0 uniprot 1.14.13.230

Derived Partial Reactions

EVODEX.1-P470

[H][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[O:48]=[O:49]>>[H][O:48][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[H][O:49][H]

[H][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[O:48]=[O:49]>>[H][O:48][C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[H][O:49][H]