EVODEX Logo

EVODEX.1-R5477

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]1:[N:4]:[C:5]2:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:2:[S:11]:1)([C@:12]([N:13]([H:37])[H:38])([C:14](=[O:15])[N:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]2:[C:21]([C:22]([C:23]([N:24]([H:41])[H:42])=[O:25])([H:43])[H:44]):[C:26]([H:45]):[C:27](=[O:28]):[O:29]:[C:30]:2:[C:31]:1[H:46])[H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:32][H:53]>>[C:1]([C:2]([C:3]1:[N:4]:[C:5]2:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:2:[S:11]:1)([C@:12]([N:13]([H:37])[H:38])([C:14](=[O:15])[O:32][H:53])[H:48])[H:49])([H:50])([H:51])[H:52].[H][N:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]2:[C:21]([C:22]([C:23]([N:24]([H:41])[H:42])=[O:25])([H:43])[H:44]):[C:26]([H:45]):[C:27](=[O:28]):[O:29]:[C:30]:2:[C:31]:1[H:46])[H:47]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
237339 L-2-amino-3-(2-benzothiazolyl)butyric acid-7-amido-4-carbamoylmethylcoumarin + H2O = L-2-amino-3-(2-benzothiazolyl)butyric acid + 7-amino-4-carbamoylmethylcoumarin False Neisseria meningitidis nan 3.4.11.2

Derived Partial Reactions

EVODEX.1-P4657

[H]C1:C(N([H])[C:14]([C@:12]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]2:[N:4]:[C:5]3:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:3:[S:11]:2)[H:49])([N:13]([H:37])[H:38])[H:48])=[O:15]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:32][H:53]>>[C:1]([C:2]([C:3]1:[N:4]:[C:5]2:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:2:[S:11]:1)([C@:12]([N:13]([H:37])[H:38])([C:14](=[O:15])[O:32][H:53])[H:48])[H:49])([H:50])([H:51])[H:52]

[H]C1:C(N([H])[C:14]([C@:12]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]2:[N:4]:[C:5]3:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:3:[S:11]:2)[H:49])([N:13]([H:37])[H:38])[H:48])=[O:15]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:32][H:53]>>[C:1]([C:2]([C:3]1:[N:4]:[C:5]2:[C:6]([H:33]):[C:7]([H:34]):[C:8]([H:35]):[C:9]([H:36]):[C:10]:2:[S:11]:1)([C@:12]([N:13]([H:37])[H:38])([C:14](=[O:15])[O:32][H:53])[H:48])[H:49])([H:50])([H:51])[H:52]