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EVODEX.1-R3416

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78])([H:79])[H:80])[H:81])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])([H:98])[H:99].[H][S:42][C:41]([C@@:40]([C:38]([N:37]([C@:36]([C:34]([N:33]([C@@:32]([C:31]([C:29]([C:28]([H:143])([H:144])[H:145])([C:30]([H:100])([H:101])[H:102])[H:142])([H:140])[H:141])([C:67](=[O:68])[N:69]([C@@:70]([C:71]([O:72][H:133])([H:134])[H:135])([C:73](=[O:74])[O:75][H:136])[H:137])[H:138])[H:139])[H:132])=[O:35])([C:64]([C:65]([H:124])([H:125])[H:126])([C:66]([H:127])([H:128])[H:129])[H:130])[H:131])[H:123])=[O:39])([N:43]([C:44](=[O:45])[C:46]([N:47]([S:48](=[O:49])(=[O:50])[C:51]1:[C:52]([H:106]):[C:53]([H:107]):[C:54]([H:108]):[C:55]2:[C:56]([N:57]([C:58]([H:109])([H:110])[H:111])[C:59]([H:112])([H:113])[H:114]):[C:60]([H:115]):[C:61]([H:116]):[C:62]([H:117]):[C:63]:1:2)[H:118])([H:119])[H:120])[H:121])[H:122])([H:104])[H:105]>>[C:1]([C:2](=[C:3]([C:4]([S:42][C:41]([C@@:40]([C:38]([N:37]([C@:36]([C:34]([N:33]([C@@:32]([C:31]([C:29]([C:28]([H:143])([H:144])[H:145])([C:30]([H:100])([H:101])[H:102])[H:142])([H:140])[H:141])([C:67](=[O:68])[N:69]([C@@:70]([C:71]([O:72][H:133])([H:134])[H:135])([C:73](=[O:74])[O:75][H:136])[H:137])[H:138])[H:139])[H:132])=[O:35])([C:64]([C:65]([H:124])([H:125])[H:126])([C:66]([H:127])([H:128])[H:129])[H:130])[H:131])[H:123])=[O:39])([N:43]([C:44](=[O:45])[C:46]([N:47]([S:48](=[O:49])(=[O:50])[C:51]1:[C:52]([H:106]):[C:53]([H:107]):[C:54]([H:108]):[C:55]2:[C:56]([N:57]([C:58]([H:109])([H:110])[H:111])[C:59]([H:112])([H:113])[H:114]):[C:60]([H:115]):[C:61]([H:116]):[C:62]([H:117]):[C:63]:1:2)[H:118])([H:119])[H:120])[H:121])[H:122])([H:104])[H:105])([H:79])[H:80])[H:81])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])([H:98])[H:99].[H][O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
150759 (2E,6E)-8-[(4-fluorophenyl)amino]-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate + dansyl-GCVLS = dansyl-G-(S-(2E,6E)-8-[(4-fluorophenyl)amino]-3,7-dimethylocta-2 6-dien-1-yl)CVLS + diphosphate False Rattus norvegicus nan 2.5.1.58

Derived Partial Reactions

EVODEX.1-P2687

[H]OP(=O)(O[H])OP(=O)(O[H])O[C:4]([C:3](=[C:2]([C:1]([H:97])([H:98])[H:99])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:81])([H:79])[H:80]>>[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])S(=O)(=O)C1:C([H]):C([H]):C([H]):C2:C(N(C([H])([H])[H])C([H])([H])[H]):C([H]):C([H]):C([H]):C:1:2)C([H])([H])S[C:4]([C:3](=[C:2]([C:1]([H:97])([H:98])[H:99])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:81])([H:79])[H:80])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H]

[H]OP(=O)(O[H])OP(=O)(O[H])O[C:4]([C:3](=[C:2]([C:1]([H:97])([H:98])[H:99])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:81])([H:79])[H:80]>>[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])S(=O)(=O)C1:C([H]):C([H]):C([H]):C2:C(N(C([H])([H])[H])C([H])([H])[H]):C([H]):C([H]):C([H]):C:1:2)C([H])([H])S[C:4]([C:3](=[C:2]([C:1]([H:97])([H:98])[H:99])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:82])([H:83])[H:84])[C:19]([N:20]([C:21]1:[C:22]([H:85]):[C:23]([H:86]):[C:24]([F:25]):[C:26]([H:87]):[C:27]:1[H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:81])([H:79])[H:80])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H]