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EVODEX.1-R6318

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255105 N-dodecanoyl-7-nitrobenz-2-oxa-1,3,4-diazole-D-erythro-sphingosine + H2O = 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanate + D-erythro-sphingosine {r} False Mycobacterium tuberculosis nan 3.5.1.23

Derived Partial Reactions

EVODEX.1-P5585

[H]OC([H])([H])[C@]([H])(N([H])[C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:48][H:110]>>[C:22](=[O:23])([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[O:48][H:110]

[H]OC([H])([H])[C@]([H])(N([H])[C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:48][H:110]>>[C:22](=[O:23])([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[O:48][H:110]