SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[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[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[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].[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]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-E553 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:49](=[#8:50])-[#6@:51])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:80]-[#15:81](=[#8:82])(-[#8:83]-[H:143])-[#8:84].[#15:90]-[#8:91]-[H]>>[#6:49](=[#8:50])(-[#6@:51])-[#8:83]-[H:143].[#8:80]-[#15:81](=[#8:82])(-[#8:84])-[#8:91]-[#15:90]
EVODEX.1-C769 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:49])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#15:76]-[#8:78].[H]-[#8:86]>>[#6:49]-[#8:78].[#15:76]-[#8:86]
EVODEX.1-N980 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:49](=[#8:50])-[#6@:51])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#8:75]-[#15:76](=[#8:77])(-[#8:78]-[H:133])-[#8:79].[H]-[#8:86]-[#15:85]>>[#6:49](=[#8:50])(-[#6@:51])-[#8:78]-[H:133].[#8:75]-[#15:76](=[#8:77])(-[#8:79])-[#8:86]-[#15:85]
EVODEX.1-Em792 - Reaction Operator Em
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8:75]-[#15:76](=[#8:77])(-[#8:78])-[#8:79].[H]-[#8:86]-[#15:85]>>[#6:49](=[#8:50])(-[#6:51])-[#8:78].[#8:75]-[#15:76](=[#8:77])(-[#8:79])-[#8:86]-[#15:85]
EVODEX.1-Cm316 - Reaction Operator Cm
[#16]-[#6:49].[#15:76]-[#8:78].[H]-[#8:86]>>[#6:49]-[#8:78].[#15:76]-[#8:86]
EVODEX.1-Nm713 - Reaction Operator Nm
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8:75]-[#15:76](=[#8:77])(-[#8:78])-[#8:79].[H]-[#8:86]-[#15:85]>>[#6:49](=[#8:50])(-[#6:51])-[#8:78].[#8:75]-[#15:76](=[#8:77])(-[#8:79])-[#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]