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EVODEX.1-R5907

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C@:7]([C:8]([C:9]1:[C:10]([H:66]):[C:11]([H:67]):[C:12]([O:13][H:68]):[C:14]([H:69]):[C:15]:1[H:70])([H:71])[H:72])([N:16]([C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:73]):[C:23]([H:74]):[C:24]([O:25][H:75]):[C:26]([H:76]):[C:27]:1[H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:80]):[C:33]([H:81]):[C:34]([H:82]):[C:35]([H:83]):[C:36]:1[N:37]([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C:38](=[O:39])[N:40]([C:41]1:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]2:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:2[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:1[H:104])[H:105])[H:106])([H:107])[H:108])([H:109])([H:110])[H:111].[H][O:65][H:112]>>[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C@:7]([C:8]([C:9]1:[C:10]([H:66]):[C:11]([H:67]):[C:12]([O:13][H:68]):[C:14]([H:69]):[C:15]:1[H:70])([H:71])[H:72])([N:16]([C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:73]):[C:23]([H:74]):[C:24]([O:25][H:75]):[C:26]([H:76]):[C:27]:1[H:77])([H:78])[H:79])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:80]):[C:33]([H:81]):[C:34]([H:82]):[C:35]([H:83]):[C:36]:1[N:37]([H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])([C:38](=[O:39])[O:65][H:112])[H:106])([H:107])[H:108])([H:109])([H:110])[H:111].[H][N:40]([C:41]1:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]2:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:2[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:1[H:104])[H:105]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
245801 Abz-Tyr-Tyr-Abu-(5-amino-2-nitrobenzoyl)-Tyr-NH2 + H2O = Abz-Tyr-Tyr-Abu + (5-amino-2-nitrobenzoyl)-Tyr-NH2 False Homo sapiens nan 3.4.21.76

Derived Partial Reactions

EVODEX.1-P5137

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:40]([C:41]2:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]3:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:3[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:2[H:104])[H:105])C([H])([H])C([H])([H])[H])C([H])([H])C2:C([H]):C([H]):C(O[H]):C([H]):C:2[H])N([H])C(=O)C2:C([H]):C([H]):C([H]):C([H]):C:2N([H])[H]):C([H]):C:1[H]>>[H][N:40]([C:41]1:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]2:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:2[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:1[H:104])[H:105]

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:40]([C:41]2:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]3:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:3[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:2[H:104])[H:105])C([H])([H])C([H])([H])[H])C([H])([H])C2:C([H]):C([H]):C(O[H]):C([H]):C:2[H])N([H])C(=O)C2:C([H]):C([H]):C([H]):C([H]):C:2N([H])[H]):C([H]):C:1[H]>>[H][N:40]([C:41]1:[C:42]([H:91]):[C:43]([H:92]):[C:44]([N+:45](=[O:46])[O-:47]):[C:48]([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]2:[C:55]([H:93]):[C:56]([H:94]):[C:57]([O:58][H:95]):[C:59]([H:96]):[C:60]:2[H:97])([H:98])[H:99])([C:61]([N:62]([H:100])[H:101])=[O:63])[H:102])[H:103]):[C:64]:1[H:104])[H:105]