SMIRKS
[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:10]([C@@:11]1([H:50])[O:12][C@:13]([N:14]2:[C:15]([H:51]):[N:16]:[C:17]3:[C:18]([N:19]([H:52])[H:53]):[N:20]:[C:21]([H:54]):[N:22]:[C:23]:2:3)([H:55])[C@@:24]([O:25][H:56])([H:57])[C@@:26]1([O:27][H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][N:28]([C:29]([C:30]([O:31][H:65])([C:32]1:[C:33]([H:66]):[C:34]([H:67]):[C:35]([H:68]):[C:36]([C:37]([F:38])([F:39])[F:40]):[C:41]:1[H:69])[H:70])([H:71])[H:72])[H:73]>>[C:1]([N:28]([C:29]([C:30]([O:31][H:65])([C:32]1:[C:33]([H:66]):[C:34]([H:67]):[C:35]([H:68]):[C:36]([C:37]([F:38])([F:39])[F:40]):[C:41]:1[H:69])[H:70])([H:71])[H:72])[H:73])([H:62])([H:63])[H:64].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:42])[H:43])([C:7](=[O:8])[O:9][H:44])[H:45])([H:46])[H:47])([H:48])[H:49])[C:10]([C@@:11]1([H:50])[O:12][C@:13]([N:14]2:[C:15]([H:51]):[N:16]:[C:17]3:[C:18]([N:19]([H:52])[H:53]):[N:20]:[C:21]([H:54]):[N:22]:[C:23]:2:3)([H:55])[C@@:24]([O:25][H:56])([H:57])[C@@:26]1([O:27][H:58])[H:59])([H:60])[H:61]
Source Database Data
Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
---|---|---|---|---|---|---|
103052 | 3-trifluoromethylphenylethanolamine + S-adenosyl-L-methionine = N-methyl-3-trifluoromethylphenylethanolamine + S-adenosyl-L-homocysteine | False | Homo sapiens | P11086 | uniprot | 2.1.1.28 |
Derived Partial Reactions
EVODEX.1-P1224
[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]