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]([C:52]([C:53]([C:54]([C:55](=[O:56])[O:57][H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[N:58]([C:59]1:[N:60]:[C:61]([H:134]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:135]):[N:67]:2[C@:68]1([H:136])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:75][H:137])[O:76][P:77](=[O:78])([O:79][H:138])[O:80][H:139])([H:140])[H:141])([H:142])[C@:81]([O:82][H:143])([H:144])[C@:83]1([O:84][H:145])[H:146])([H:147])[H:148].[H][O:87][P:86](=[O:85])([O:88][H:150])[O:89][H:151]>>[C:49](=[O:50])([C:51]([C:52]([C:53]([C:54]([C:55](=[O:56])[O:57][H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[O:79][H:138].[N:58]([C:59]1:[N:60]:[C:61]([H:134]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:135]):[N:67]:2[C@:68]1([H:136])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:75][H:137])[O:76][P:77](=[O:78])([O:80][H:139])[O:87][P:86](=[O:85])([O:88][H:150])[O:89][H:151])([H:140])[H:141])([H:142])[C@:81]([O:82][H:143])([H:144])[C@:83]1([O:84][H:145])[H:146])([H:147])[H:148]
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-R7463
[C:1]([C:2]([C:3]([H:90])([H:91])[H:92])([C:4]([O:5][P:6](=[O:7])([O:8][H:93])[O:9][P:10](=[O:11])([O:12][H:94])[O:13][C:14]([C@@:15]1([H:95])[O:16][C@:17]([N:18]2:[C:19]([H:96]):[N:20]:[C:21]3:[C:22]([N:23]([H:97])[H:98]):[N:24]:[C:25]([H:99]):[N:26]:[C:27]:2:3)([H:100])[C@@:28]([O:29][H:101])([H:102])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:103])[O:35][H:104])[H:105])([H:106])[H:107])([H:108])[H:109])[C@@:36]([O:37][H:110])([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]([C:52]([C:53]([C:54]([C:55](=[O:56])[O:57][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:129])[H:130])([H:131])([H:132])[H:133].[N:58]([C:59]1:[N:60]:[C:61]([H:134]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:135]):[N:67]:2[C@:68]1([H:136])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:75][H:137])[O:76][P:77](=[O:78])([O:79][H:138])[O:80][H:139])([H:140])[H:141])([H:142])[C@:81]([O:82][H:143])([H:144])[C@:83]1([O:84][H:145])[H:146])([H:147])[H:148].[H][O:87][P:86](=[O:85])([O:88][H:150])[O:89][H:151]>>[C:49](=[O:50])([C:51]([C:52]([C:53]([C:54]([C:55](=[O:56])[O:57][H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[O:79][H:138].[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:131])([H:132])[H:133])([C:3]([H:90])([H:91])[H:92])[C:4]([O:5][P:6](=[O:7])([O:8][H:93])[O:9][P:10](=[O:11])([O:12][H:94])[O:13][C:14]([C@@:15]1([H:95])[O:16][C@:17]([N:18]2:[C:19]([H:96]):[N:20]:[C:21]3:[C:22]([N:23]([H:97])[H:98]):[N:24]:[C:25]([H:99]):[N:26]:[C:27]:2:3)([H:100])[C@@:28]([O:29][H:101])([H:102])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:103])[O:35][H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([O:37][H:110])[H:130])=[O:39])[H:129])([H:127])[H:128])([H:125])[H:126])=[O:44])[H:124])([H:122])[H:123])([H:120])[H:121].[N:58]([C:59]1:[N:60]:[C:61]([H:134]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:135]):[N:67]:2[C@:68]1([H:136])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:75][H:137])[O:76][P:77](=[O:78])([O:80][H:139])[O:87][P:86](=[O:85])([O:88][H:150])[O:89][H:151])([H:140])[H:141])([H:142])[C@:81]([O:82][H:143])([H:144])[C@:83]1([O:84][H:145])[H:146])([H:147])[H:148]