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EVODEX.1-R3794

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][C@@:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:43])[H:44]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])=[O:18])([H:41])[H:42])([N:21]([H:37])[H:38])[C:22](=[O:23])[O:24][H:39]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([C:7](=[O:8])[O:9][H:25])[N:21]([H:37])[H:38].[O:6]=[C:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:43])[H:44]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])=[O:18])([H:41])[H:42])[C:22](=[O:23])[O:24][H:39]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157309 L-kynurenine + 4-methylsulfanyl-2-oxobutanoate = 4-(2-aminophenyl)-2,4-dioxobutanoate + L-methionine False Rattus norvegicus nan 2.6.1.63

Derived Partial Reactions

EVODEX.1-P3141

O=[C:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:25].[H]OC(=O)[C@]([H])(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])[N:21]([H:37])[H:38]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([C:7](=[O:8])[O:9][H:25])[N:21]([H:37])[H:38]

O=[C:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:25].[H]OC(=O)[C@]([H])(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])[N:21]([H:37])[H:38]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([C:7](=[O:8])[O:9][H:25])[N:21]([H:37])[H:38]

EVODEX.1-P3142

[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]N([H])[C@@:5]([H])([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:25].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:6]

[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]N([H])[C@@:5]([H])([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:25].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:6]