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EVODEX.1-R6331

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]([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([O:27][H:46])([H:47])[H:48])([C@:28]([O:29][H:49])([C:30](=[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:50])([H:51])[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: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:110])([H:111])[H:112].[H][O:45][H:113]>>[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]([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22](=[O:23])[O:45][H:113])([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:110])([H:111])[H:112].[H][N:24]([C@@:25]([C:26]([O:27][H:46])([H:47])[H:48])([C@:28]([O:29][H:49])([C:30](=[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:50])([H:51])[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]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
255329 D-erythro-sphingosine + (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexa-4,7,10,13,16,19-enoic acid = N-((4Z,7Z,10Z,13Z,16Z,19Z)-docosahexa-4,7,10,13,16 19-enoyl)-D-erythro-sphingosine + H2O {r} False Pseudomonas aeruginosa nan 3.5.1.23

Derived Partial Reactions

EVODEX.1-P5600

[H]OC([H])([H])[C@]([H])(N([H])[C:22]([C:21]([C:20]([C:19](=[C:18]([C:17]([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:110])([H:111])[H:112])([H:108])[H:109])[H:107])[H:106])([H:104])[H:105])[H:103])[H:102])([H:100])[H:101])[H:99])[H:98])([H:96])[H:97])[H:95])[H:94])([H:92])[H:93])[H:91])[H:90])([H:88])[H:89])[H:87])[H:86])([H:84])[H:85])([H:82])[H:83])=[O:23])[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:45][H:113]>>[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]([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22](=[O:23])[O:45][H:113])([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:110])([H:111])[H:112]

[H]OC([H])([H])[C@]([H])(N([H])[C:22]([C:21]([C:20]([C:19](=[C:18]([C:17]([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:110])([H:111])[H:112])([H:108])[H:109])[H:107])[H:106])([H:104])[H:105])[H:103])[H:102])([H:100])[H:101])[H:99])[H:98])([H:96])[H:97])[H:95])[H:94])([H:92])[H:93])[H:91])[H:90])([H:88])[H:89])[H:87])[H:86])([H:84])[H:85])([H:82])[H:83])=[O:23])[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:45][H:113]>>[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]([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22](=[O:23])[O:45][H:113])([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:110])([H:111])[H:112]