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EVODEX.1-R541

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
54312 4-hydroxyphenyl-2-aminoethyl sulfide + ascorbate + O2 = 4-hydroxyphenyl-2-aminoethyl sulfoxide + dehydroascorbate + H2O False Bos taurus nan 1.14.17.1

Derived Partial Reactions

EVODEX.1-P571

[H][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46].O=[O:34]>>[H][O:34][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46]

[H][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46].O=[O:34]>>[H][O:34][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46]