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EVODEX.1-R1824

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]1([H:34])([H:35])[C:2]([H:36])([H:37])[C:3]([H:38])([H:39])[S:4][C:5]([H:40])([H:41])[C:6]1([H:42])[H:43].[C:7]([S+:8]([C:9]([C:10]([C@:11]([N:12]([H:44])[H:45])([C:13](=[O:14])[O:15][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[C:16]([C@@:17]1([H:52])[O:18][C@:19]([N:20]2:[C:21]([H:53]):[N:22]:[C:23]3:[C:24]([N:25]([H:54])[H:55]):[N:26]:[C:27]([H:56]):[N:28]:[C:29]:2:3)([H:57])[C@@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66]>>[C:1]1([H:34])([H:35])[C:2]([H:36])([H:37])[C:3]([H:38])([H:39])[S+:4]([C:7]([H:64])([H:65])[H:66])[C:5]([H:40])([H:41])[C:6]1([H:42])[H:43].[S:8]([C:9]([C:10]([C@:11]([N:12]([H:44])[H:45])([C:13](=[O:14])[O:15][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[C:16]([C@@:17]1([H:52])[O:18][C@:19]([N:20]2:[C:21]([H:53]):[N:22]:[C:23]3:[C:24]([N:25]([H:54])[H:55]):[N:26]:[C:27]([H:56]):[N:28]:[C:29]:2:3)([H:57])[C@@:30]([O:31][H:58])([H:59])[C@@:32]1([O:33][H:60])[H:61])([H:62])[H:63]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
106922 S-adenosyl-L-methionine + pentamethylene sulfide = S-adenosyl-L-homocysteine + pentamethylenemethylsulfonium False Mus musculus nan 2.1.1.96

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]