SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48])([H:49])[H:50])([H:51])[C@:28]([O:29][H:52])([H:53])[C@:30]1([O:31][H:54])[H:55])([H:56])[H:57].[H][O:34][C:33](=[O:32])[C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:1[H:63]>>[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:34][C:33](=[O:32])[C:35]2:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:2[H:63])([H:49])[H:50])([H:51])[C@:28]([O:29][H:52])([H:53])[C@:30]1([O:31][H:54])[H:55])([H:56])[H:57].[H][O:19][P:20](=[O:21])([O:22][H:46])[O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 317792 | ATP + 4-hydroxybenzoate = 4-hydroxybenzoyl-adenylate + diphosphate | True | Mycobacterium tuberculosis | P9WQ61 | uniprot | 6.2.1.50 |
Derived Partial Reactions
EVODEX.1-P302
![[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:89][P:90](=[O:91])([O:92][H:174])[O:93][P:94](=[O:95])([O:96][H:175])[O:97][H:176]>>[H][O:89][P:90](=[O:91])([O:92][H:174])[O:93][P:94](=[O:95])([O:96][H:175])[O:97][H:176]](../images/EVODEX.1-P302.svg)
[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:89][P:90](=[O:91])([O:92][H:174])[O:93][P:94](=[O:95])([O:96][H:175])[O:97][H:176]>>[H][O:89][P:90](=[O:91])([O:92][H:174])[O:93][P:94](=[O:95])([O:96][H:175])[O:97][H:176]
EVODEX.1-P6865
![[H][O:34][C:33](=[O:32])[C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:1[H:63]>>[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:34][C:33](=[O:32])[C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:1[H:63]](../images/EVODEX.1-P6865.svg)
[H][O:34][C:33](=[O:32])[C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:1[H:63]>>[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:34][C:33](=[O:32])[C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([O:39][H:61]):[C:40]([H:62]):[C:41]:1[H:63]