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EVODEX.1-R4999

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][P:10](=[O:11])([O:12][H:63])[O:13][C:14]([C@@:15]1([H:64])[O:16][C@:17]([N:18]2:[C:19]([H:65]):[N:20]:[C:21]3:[C:22]([N:23]([H:66])[H:67]):[N:24]:[C:25]([H:68]):[N:26]:[C:27]:2:3)([H:69])[C@@:28]([O:29][H:70])([H:71])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:72])[O:35][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[C@@:36]([O:37][H:79])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]1:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:1[H:84])([H:85])[H:86])([H:87])[H:88])[H:89])([H:90])[H:91])([H:92])[H:93])[H:94])[H:95])([H:96])([H:97])[H:98].[H][O:58][H:99]>>[C:49](=[O:50])([C:51]1:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:1[H:84])[O:58][H:99].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:96])([H:97])[H:98])([C:3]([H:59])([H:60])[H:61])[C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][P:10](=[O:11])([O:12][H:63])[O:13][C:14]([C@@:15]1([H:64])[O:16][C@:17]([N:18]2:[C:19]([H:65]):[N:20]:[C:21]3:[C:22]([N:23]([H:66])[H:67]):[N:24]:[C:25]([H:68]):[N:26]:[C:27]:2:3)([H:69])[C@@:28]([O:29][H:70])([H:71])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:72])[O:35][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([O:37][H:79])[H:95])=[O:39])[H:94])([H:92])[H:93])([H:90])[H:91])=[O:44])[H:89])([H:87])[H:88])([H:85])[H:86]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
204530 3-hydroxybenzoyl-CoA + H2O = CoA + 3-hydroxybenzoate False Escherichia coli K-12 nan 3.1.2.20

Derived Partial Reactions

EVODEX.1-P4163

[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:49](=[O:50])[C:51]2:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:2[H:84])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][H:99]>>[C:49](=[O:50])([C:51]1:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:1[H:84])[O:58][H:99]

[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:49](=[O:50])[C:51]2:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:2[H:84])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][H:99]>>[C:49](=[O:50])([C:51]1:[C:52]([H:80]):[C:53]([H:81]):[C:54]([H:82]):[C:55]([O:56][H:83]):[C:57]:1[H:84])[O:58][H:99]