SMIRKS
[C:1]([C:2]([C:3]([H:89])([H:90])[H:91])([C:4]([O:5][P:6](=[O:7])([O:8][H:92])[O:9][P:10](=[O:11])([O:12][H:93])[O:13][C:14]([C@@:15]1([H:94])[O:16][C@:17]([N:18]2:[C:19]([H:95]):[N:20]:[C:21]3:[C:22]([N:23]([H:96])[H:97]):[N:24]:[C:25]([H:98]):[N:26]:[C:27]:2:3)([H:99])[C@@:28]([O:29][H:100])([H:101])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:102])[O:35][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[C@@:36]([O:37][H:109])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C@:51]([O:52][H:110])([C:53]([C:54](=[O:55])[O:56][H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125])([H:126])([H:127])[H:128].[H][O:86][P:85](=[O:84])([O:87][H:145])[O:88][H:146]>>[H]O[C:49](=[O:50])[C@:51]([O:52][H:110])([C:53]([C:54](=[O:55])[O:56][H:111])([H:112])[H:113])[H:114].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:126])([H:127])[H:128])([C:3]([H:89])([H:90])[H:91])[C:4]([O:5][P:6](=[O:7])([O:8][H:92])[O:9][P:10](=[O:11])([O:12][H:93])[O:13][C:14]([C@@:15]1([H:94])[O:16][C@:17]([N:18]2:[C:19]([H:95]):[N:20]:[C:21]3:[C:22]([N:23]([H:96])[H:97]):[N:24]:[C:25]([H:98]):[N:26]:[C:27]:2:3)([H:99])[C@@:28]([O:29][H:100])([H:101])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:102])[O:35][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([O:37][H:109])[H:125])=[O:39])[H:124])([H:122])[H:123])([H:120])[H:121])=[O:44])[H:119])([H:117])[H:118])([H:115])[H:116].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:86][P:85](=[O:84])([O:87][H:145])[O:88][H:146]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1185 - Reaction Operator E
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6@:51].[#15:85]-[#8:86]-[H]>>[#6:49](=[#8:50])(-[#6@:51])-[#8]-[H].[#6:47]-[#16:48]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]-[#15:85])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C778 - Reaction Operator C
[#16:48]-[#6:49].[H]-[#8:86]>>[H]-[#8]-[#6:49].[H]-[#16:48].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]
EVODEX.1-N989 - Reaction Operator N
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6@:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6@:51].[H]-[#16:48]-[#6:47].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]-[#15:85]
EVODEX.1-Em143 - Reaction Operator Em
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:48]-[#6:47].[#8]-[#15](=[#8])(-[#8])-[#8:86]-[#15:85]
EVODEX.1-Cm169 - Reaction Operator Cm
[#16:48]-[#6:49].[H]-[#8:86]>>[#8]-[#6:49].[H]-[#16:48].[#15]-[#8:86]
EVODEX.1-Nm175 - Reaction Operator Nm
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:48]-[#6:47].[#8]-[#15](=[#8])(-[#8])-[#8:86]-[#15:85]
Source Full Reactions
EVODEX.1-R7466
[C:1]([C:2]([C:3]([H:89])([H:90])[H:91])([C:4]([O:5][P:6](=[O:7])([O:8][H:92])[O:9][P:10](=[O:11])([O:12][H:93])[O:13][C:14]([C@@:15]1([H:94])[O:16][C@:17]([N:18]2:[C:19]([H:95]):[N:20]:[C:21]3:[C:22]([N:23]([H:96])[H:97]):[N:24]:[C:25]([H:98]):[N:26]:[C:27]:2:3)([H:99])[C@@:28]([O:29][H:100])([H:101])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:102])[O:35][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[C@@:36]([O:37][H:109])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C@:51]([O:52][H:110])([C:53]([C:54](=[O:55])[O:56][H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125])([H:126])([H:127])[H:128].[N:57]([C:58]1:[N:59]:[C:60]([H:129]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:130]):[N:66]:2[C@:67]1([H:131])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:132])[O:75][P:76](=[O:77])([O:78][H:133])[O:79][H:134])([H:135])[H:136])([H:137])[C@:80]([O:81][H:138])([H:139])[C@:82]1([O:83][H:140])[H:141])([H:142])[H:143].[H][O:86][P:85](=[O:84])([O:87][H:145])[O:88][H:146]>>[C:49](=[O:50])([C@:51]([O:52][H:110])([C:53]([C:54](=[O:55])[O:56][H:111])([H:112])[H:113])[H:114])[O:78][H:133].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:126])([H:127])[H:128])([C:3]([H:89])([H:90])[H:91])[C:4]([O:5][P:6](=[O:7])([O:8][H:92])[O:9][P:10](=[O:11])([O:12][H:93])[O:13][C:14]([C@@:15]1([H:94])[O:16][C@:17]([N:18]2:[C:19]([H:95]):[N:20]:[C:21]3:[C:22]([N:23]([H:96])[H:97]):[N:24]:[C:25]([H:98]):[N:26]:[C:27]:2:3)([H:99])[C@@:28]([O:29][H:100])([H:101])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:102])[O:35][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([O:37][H:109])[H:125])=[O:39])[H:124])([H:122])[H:123])([H:120])[H:121])=[O:44])[H:119])([H:117])[H:118])([H:115])[H:116].[N:57]([C:58]1:[N:59]:[C:60]([H:129]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:130]):[N:66]:2[C@:67]1([H:131])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:132])[O:75][P:76](=[O:77])([O:79][H:134])[O:86][P:85](=[O:84])([O:87][H:145])[O:88][H:146])([H:135])[H:136])([H:137])[C@:80]([O:81][H:138])([H:139])[C@:82]1([O:83][H:140])[H:141])([H:142])[H:143]