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EVODEX.1-R300

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])[H:39])[H:40].[O:21]=[O:22]>>[H][O:22][O:21][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])[H:40])[H:39])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
41461 alpha-linolenic acid + O2 = (10E,12Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid True Solanum tuberosum Q43189 uniprot 1.13.11.58

Derived Partial Reactions

EVODEX.1-P263

[H][C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])[H:39])[H:40].[O:21]=[O:22]>>[H][O:22][O:21][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])[H:40])[H:39])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38]

[H][C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])[H:39])[H:40].[O:21]=[O:22]>>[H][O:22][O:21][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:50])([H:51])[H:52])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])[H:43])[H:42])[H:40])[H:39])([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38]