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EVODEX.1-R5006

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([H:61])([H:62])[H:63])([C:4]([O:5][P:6](=[O:7])([O:8][H:64])[O:9][P:10](=[O:11])([O:12][H:65])[O:13][C:14]([C@@:15]1([H:66])[O:16][C@:17]([N:18]2:[C:19]([H:67]):[N:20]:[C:21]3:[C:22]([N:23]([H:68])[H:69]):[N:24]:[C:25]([H:70]):[N:26]:[C:27]:2:3)([H:71])[C@@:28]([O:29][H:72])([H:73])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:74])[O:35][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[C@@:36]([O:37][H:81])([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](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[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])[H:102].[H][O:60][H:103]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[H:86])[H:87])[H:88])[O:60][H:103].[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:100])([H:101])[H:102])([C:3]([H:61])([H:62])[H:63])[C:4]([O:5][P:6](=[O:7])([O:8][H:64])[O:9][P:10](=[O:11])([O:12][H:65])[O:13][C:14]([C@@:15]1([H:66])[O:16][C@:17]([N:18]2:[C:19]([H:67]):[N:20]:[C:21]3:[C:22]([N:23]([H:68])[H:69]):[N:24]:[C:25]([H:70]):[N:26]:[C:27]:2:3)([H:71])[C@@:28]([O:29][H:72])([H:73])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:74])[O:35][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([O:37][H:81])[H:99])=[O:39])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:44])[H:93])([H:91])[H:92])([H:89])[H:90]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
204867 p-coumaroyl-CoA + H2O = p-coumaric acid + CoA False Arabidopsis thaliana Q9LKJ1 uniprot 3.1.2.4

Derived Partial Reactions

EVODEX.1-P4168

[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](=[C:52]([C:53]2:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:2[H:86])[H:87])[H:88])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[H:86])[H:87])[H:88]

[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](=[C:52]([C:53]2:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:2[H:86])[H:87])[H:88])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[H:86])[H:87])[H:88]