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EVODEX.1-R4643

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2](=[C:3]([C:4](=[O:5])[O:6][H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[C:7]([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[C:26]([O:27][P:28](=[O:29])([O:30][H:71])[O:31][P:32](=[O:33])([O:34][H:72])[O:35][C:36]([C@@:37]1([H:73])[O:38][C@:39]([N:40]2:[C:41]([H:74]):[N:42]:[C:43]3:[C:44]([N:45]([H:75])[H:76]):[N:46]:[C:47]([H:77]):[N:48]:[C:49]:2:3)([H:78])[C@@:50]([O:51][H:79])([H:80])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:81])[O:57][H:82])[H:83])([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:99])([H:100])[H:101]>>[C:1]([C:2](=[C:3]([C:4](=[O:5])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[C:26]([O:27][P:28](=[O:29])([O:30][H:71])[O:31][P:32](=[O:33])([O:34][H:72])[O:35][C:36]([C@@:37]1([H:73])[O:38][C@:39]([N:40]2:[C:41]([H:74]):[N:42]:[C:43]3:[C:44]([N:45]([H:75])[H:76]):[N:46]:[C:47]([H:77]):[N:48]:[C:49]:2:3)([H:78])[C@@:50]([O:51][H:79])([H:80])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:81])[O:57][H:82])[H:83])([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:59])[H:60])([H:61])([H:62])[H:63].[O:6]([C:8]([C:7]([H:99])([H:100])[H:101])=[O:9])[H:58]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
191412 crotonate + acetyl-CoA = acetate + crotonyl-CoA False Cupriavidus necator nan 2.8.3.1

Derived Partial Reactions

EVODEX.1-P3787

[H]O[C:4]([C:3](=[C:2]([C:1]([H:61])([H:62])[H:63])[H:60])[H:59])=[O:5]>>[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:4]([C:3](=[C:2]([C:1]([H:61])([H:62])[H:63])[H:60])[H:59])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

[H]O[C:4]([C:3](=[C:2]([C:1]([H:61])([H:62])[H:63])[H:60])[H:59])=[O:5]>>[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:4]([C:3](=[C:2]([C:1]([H:61])([H:62])[H:63])[H:60])[H:59])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1