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EVODEX.1-R6234

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:2]=[C:3]([C:4]([C:5]([C:6]([C:7]([C@:8]1([H:27])[S:9][C:10]([H:28])([H:29])[C@:11]2([H:30])[N:12]([H:31])[C:13](=[O:14])[N:15]([H:32])[C@:16]12[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[N:17]([C:18]1:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:1[H:46])[H:47].[H][O:1][H:48]>>[H][N:17]([C:18]1:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:1[H:46])[H:47].[O:1]([C:3](=[O:2])[C:4]([C:5]([C:6]([C:7]([C@:8]1([H:27])[S:9][C:10]([H:28])([H:29])[C@:11]2([H:30])[N:12]([H:31])[C:13](=[O:14])[N:15]([H:32])[C@:16]12[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:48]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253414 biotinyl-4-amino benzoic acid + H2O = biotin + 4-aminobenzoic acid False Homo sapiens P43251 uniprot 3.5.1.12

Derived Partial Reactions

EVODEX.1-P5495

[H]N1C(=O)N([H])[C@@]2([H])C([H])([H])S[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:17]([C:18]3:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:3[H:46])[H:47])[C@@]12[H]>>[H][N:17]([C:18]1:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:1[H:46])[H:47]

[H]N1C(=O)N([H])[C@@]2([H])C([H])([H])S[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:17]([C:18]3:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:3[H:46])[H:47])[C@@]12[H]>>[H][N:17]([C:18]1:[C:19]([H:42]):[C:20]([H:43]):[C:21]([C:22](=[O:23])[O:24][H:44]):[C:25]([H:45]):[C:26]:1[H:46])[H:47]