EVODEX Logo

EVODEX.1-R6319

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:19]([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:83])([H:84])[H:85])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])[H:58])[H:57])([O:17][H:49])[H:56])([C:20]([O:21][H:52])([H:53])[H:54])[H:55])[H:50].[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111]>>[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]([N:19]([C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111])[H:50])([C:20]([O:21][H:52])([H:53])[H:54])[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][O:24][H:86]

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-P5586

[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111]>>[H]OC([H])([H])[C@]([H])(N([H])[C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111])[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:24][H:86]

[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111]>>[H]OC([H])([H])[C@]([H])(N([H])[C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[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:110])[H:111])[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:24][H:86]