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EVODEX.1-R6247

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253753 (indol-3-yl)acetyl-L-aspartate + H2O = (indol-3-yl)acetate + L-aspartate True Pantoea agglomerans O50173 uniprot 3.5.1.134

Derived Partial Reactions

EVODEX.1-P5508

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:24]):[N:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:1:2)([H:30])[H:31].[H][O:1][H:37]>>[O:1]([C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:24]):[N:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:1:2)([H:30])[H:31])[H:37]

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:24]):[N:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:1:2)([H:30])[H:31].[H][O:1][H:37]>>[O:1]([C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:24]):[N:13]([H:25]):[C:14]2:[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]([H:29]):[C:19]:1:2)([H:30])[H:31])[H:37]