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EVODEX.1-R7101

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
295896 N-2,4,6-trinitrophenyl-D-Tyr-L-Val-(S)-alpha-hydroxy-Gly = N-2,4,6-trinitrophenyl-D-Tyr-L-Val-amide + glyoxylate True Homo sapiens P19021 swissprot 4.3.2.5

Derived Partial Reactions

EVODEX.1-P6521

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

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