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EVODEX.1-R5545

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238065 beta-homoPhe-Ile-beta-homoTyr + H2O = beta-homoPhe + Ile-beta-homoTyr False Sphingosinicella xenopeptidilytica Q52VH2 uniprot 3.4.11.25

Derived Partial Reactions

EVODEX.1-P4731

[H]OC(=O)C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:39])[H:40])([C:12]([C:13]1:[C:14]([H:41]):[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]:1[H:45])([H:46])[H:47])[H:48])([H:49])[H:50])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H]>>[H]O[C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:39])[H:40])([C:12]([C:13]1:[C:14]([H:41]):[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]:1[H:45])([H:46])[H:47])[H:48])([H:49])[H:50]

[H]OC(=O)C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:39])[H:40])([C:12]([C:13]1:[C:14]([H:41]):[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]:1[H:45])([H:46])[H:47])[H:48])([H:49])[H:50])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H]>>[H]O[C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:39])[H:40])([C:12]([C:13]1:[C:14]([H:41]):[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]:1[H:45])([H:46])[H:47])[H:48])([H:49])[H:50]