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EVODEX.1-R4790

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
194678 cholesteryl valerate + H2O = cholesterol + valeric acid False Fusarium oxysporum nan 3.1.1.13

Derived Partial Reactions

EVODEX.1-P3938

[H]C1=C2C([H])([H])[C@@]([H])(O[C:5]([C:4]([C:3]([C:2]([C:1]([H:87])([H:88])[H:89])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])=[O:6])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])C1([H])[H].[H][O:35][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:35][H:90])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])([H:88])[H:89]

[H]C1=C2C([H])([H])[C@@]([H])(O[C:5]([C:4]([C:3]([C:2]([C:1]([H:87])([H:88])[H:89])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])=[O:6])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])C1([H])[H].[H][O:35][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:35][H:90])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])([H:88])[H:89]