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EVODEX.1-R3826

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157569 L-kynurenine + 2-oxobutanoate = 4-(2-aminophenyl)-2,4-dioxobutanoate + 2-aminobutanoate False Homo sapiens nan 2.6.1.7

Derived Partial Reactions

EVODEX.1-P3184

[H]OC(=O)C(C([H])([H])C([H])([H])[H])=[O:4].[H]N([H])[C@@:18]([H])([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]>>[O:4]=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]

[H]OC(=O)C(C([H])([H])C([H])([H])[H])=[O:4].[H]N([H])[C@@:18]([H])([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]>>[O:4]=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]

EVODEX.1-P3185

[H][C@@:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])([N:19]([H:33])[H:34])[C:20](=[O:21])[O:22][H:35]>>[H]OC(=O)C([H])(C([H])([H])C([H])([H])[H])[N:19]([H:33])[H:34].O=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]

[H][C@@:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])([N:19]([H:33])[H:34])[C:20](=[O:21])[O:22][H:35]>>[H]OC(=O)C([H])(C([H])([H])C([H])([H])[H])[N:19]([H:33])[H:34].O=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]

EVODEX.1-P3186

[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C:3]([H])([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])[C:5](=[O:6])[O:7][H:23].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:4]

[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C:3]([H])([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])[C:5](=[O:6])[O:7][H:23].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:4]