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EVODEX.1-R5424

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[N:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]2:[C:14](:[C:15]:1[H:26])[O:16][C:17]([H:27])([H:28])[C:18]([H:29])=[C:19]2[C:20]([H:30])([H:31])[H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][O:21][H:42]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[O:21][H:42])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][N:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]2:[C:14](:[C:15]:1[H:26])[O:16][C:17]([H:27])([H:28])[C:18]([H:29])=[C:19]2[C:20]([H:30])([H:31])[H:32])[H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236529 L-Met-7-amido-4-methylcoumarin + H2O = L-Met + 7-amino-4-methylcoumarin False Leishmania donovani Q95V75 swissprot 3.4.11.1

Derived Partial Reactions

EVODEX.1-P4596

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([N:6]([H:22])[H:23])[H:34])=[O:8]):C([H]):C:2OC1([H])[H].[H][O:21][H:42]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[O:21][H:42])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]

[H]C1=C(C([H])([H])[H])C2:C([H]):C([H]):C(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([N:6]([H:22])[H:23])[H:34])=[O:8]):C([H]):C:2OC1([H])[H].[H][O:21][H:42]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[O:21][H:42])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]