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EVODEX.1-R4581

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190263 3'-phosphoadenylylsulfate + 1-dodecanol = adenosine 3',5'-bisphosphate + 1-dodecyl sulfate {r} False Rattus norvegicus nan 2.8.2.2

Derived Partial Reactions

EVODEX.1-P3749

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:13][S:14](=[O:15])(=[O:16])[O:17][H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]>>[H][O:13][C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:14](=[O:15])(=[O:16])[O:17][H:45])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

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