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EVODEX.1-R7008

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:12]([C@:10]([C:8]([S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:29])([H:30])[H:31])=[O:3])[H:28])([H:26])[H:27])([H:24])[H:25])=[O:9])([O:11][H:17])[H:23])([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10](=[C:12]([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:11][H:17]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
288057 (R)-2-hydroxyglutaryl-N-acetylcysteamine = (E)-glutaconyl-N-acetylcysteamine + H2O {r} False [Clostridium] symbiosum Q9X5B7, Q9X5B8 uniprot 4.2.1.167

Derived Partial Reactions

EVODEX.1-P6421

[H][C:12]([C@:10]([C:8]([S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:29])([H:30])[H:31])=[O:3])[H:28])([H:26])[H:27])([H:24])[H:25])=[O:9])([O:11][H:17])[H:23])([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10](=[C:12]([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:11][H:17]

[H][C:12]([C@:10]([C:8]([S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:29])([H:30])[H:31])=[O:3])[H:28])([H:26])[H:27])([H:24])[H:25])=[O:9])([O:11][H:17])[H:23])([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10](=[C:12]([C:13]([C:14](=[O:15])[O:16][H:18])([H:19])[H:20])[H:21])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:11][H:17]