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EVODEX.1-R5803

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
243307 (methylsulfonyl)-D-cyclohexylalanine-Gly-Arg-7-amido-4-methylcoumarin + H2O = (methylsulfonyl)-D-cyclohexylalanine-Gly-Arg + 7-amino-4-methylcoumarin False Homo sapiens P00740 uniprot 3.4.21.22

Derived Partial Reactions

EVODEX.1-P5022

[H]C1:C(N([H])[C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:47])[N:20]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([C:29]([C:30]2([H:57])[C:31]([H:58])([H:59])[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C:35]2([H:66])[H:67])([H:68])[H:69])([N:36]([S:37]([C:38]([H:70])([H:71])[H:72])(=[O:39])=[O:40])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:44][H:86]>>[C:11](=[O:12])([C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:47])[N:20]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([C:29]([C:30]1([H:57])[C:31]([H:58])([H:59])[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C:35]1([H:66])[H:67])([H:68])[H:69])([N:36]([S:37]([C:38]([H:70])([H:71])[H:72])(=[O:39])=[O:40])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[O:44][H:86]

[H]C1:C(N([H])[C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:47])[N:20]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([C:29]([C:30]2([H:57])[C:31]([H:58])([H:59])[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C:35]2([H:66])[H:67])([H:68])[H:69])([N:36]([S:37]([C:38]([H:70])([H:71])[H:72])(=[O:39])=[O:40])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:44][H:86]>>[C:11](=[O:12])([C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:47])[N:20]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([C:29]([C:30]1([H:57])[C:31]([H:58])([H:59])[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C:35]1([H:66])[H:67])([H:68])[H:69])([N:36]([S:37]([C:38]([H:70])([H:71])[H:72])(=[O:39])=[O:40])[H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[O:44][H:86]