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EVODEX.1-R1808

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:7][N:6]=[C:5]([C:3]([C:2]([C:1]([H:43])([H:44])[H:45])([H:41])[H:42])([C:4]([H:35])([H:36])[H:37])[H:40])[H:39].[C:8]([S+:9]([C:10]([C:11]([C@:12]([N:13]([H:46])[H:47])([C:14](=[O:15])[O:16][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:17]([C@@:18]1([H:54])[O:19][C@:20]([N:21]2:[C:22]([H:55]):[N:23]:[C:24]3:[C:25]([N:26]([H:56])[H:57]):[N:27]:[C:28]([H:58]):[N:29]:[C:30]:2:3)([H:59])[C@@:31]([O:32][H:60])([H:61])[C@@:33]1([O:34][H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68]>>[C:1]([C:2]([C:3]([C:4]([H:35])([H:36])[H:37])([C:5](=[N:6][O:7][C:8]([H:66])([H:67])[H:68])[H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[HH].[S:9]([C:10]([C:11]([C@:12]([N:13]([H:46])[H:47])([C:14](=[O:15])[O:16][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:17]([C@@:18]1([H:54])[O:19][C@:20]([N:21]2:[C:22]([H:55]):[N:23]:[C:24]3:[C:25]([N:26]([H:56])[H:57]):[N:27]:[C:28]([H:58]):[N:29]:[C:30]:2:3)([H:59])[C@@:31]([O:32][H:60])([H:61])[C@@:33]1([O:34][H:62])[H:63])([H:64])[H:65]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
106857 2-methylbutyraldoxime + S-adenosyl-L-methionine = 2-methylbutyraldoxime methyl ether + S-adenosyl-L-homocysteine False Pseudomonas sp. nan 2.1.1.91

Derived Partial Reactions

EVODEX.1-P1224

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]