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EVODEX.1-R333

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][C:20](=[O:21])[C@@:22]2([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]3:[N:27]:[C:28]4:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:4:[S:35]:3)=[N:36]2)([H:61])[H:62])([H:63])[C@:37]([O:38][H:64])([H:65])[C@:39]1([O:40][H:66])[H:67])([H:68])[H:69].[H][O:43][P:42](=[O:41])([O:44][H:71])[O:45][P:46](=[O:47])([O:48][H:72])[O:49][H:73]>>[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:43][P:42](=[O:41])([O:44][H:71])[O:45][P:46](=[O:47])([O:48][H:72])[O:49][H:73])([H:61])[H:62])([H:63])[C@:37]([O:38][H:64])([H:65])[C@:39]1([O:40][H:66])[H:67])([H:68])[H:69].[H][O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
42404 D-luciferin + ATP = diphosphate + luciferyl-adenylate {r} False Photinus pyralis P08659 uniprot 1.13.12.7

Derived Partial Reactions

EVODEX.1-P305

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1>>[H][O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1>>[H][O:19][C:20](=[O:21])[C@@:22]1([H:54])[C:23]([H:55])([H:56])[S:24][C:25]([C:26]2:[N:27]:[C:28]3:[C:29]([H:57]):[C:30]([H:58]):[C:31]([O:32][H:59]):[C:33]([H:60]):[C:34]:3:[S:35]:2)=[N:36]1