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:8]([C:7]([C:2]([C:1]([H:110])([H:111])[H:112])([C:3]([C:4](=[O:5])[O:6][H:69])([H:70])[H:71])[H:109])([H:107])[H:108])=[O:9])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:64][C@@:63]([C:62]([N+:59]([C:58]([H:126])([H:127])[H:128])([C:60]([H:113])([H:114])[H:115])[C:61]([H:116])([H:117])[H:118])([H:124])[H:125])([C:65]([C:66](=[O:67])[O:68][H:120])([H:121])[H:122])[H:123]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:69])([H:70])[H:71])([C:7]([C:8](=[O:9])[O:64][C@@:63]([C:62]([N+:59]([C:58]([H:126])([H:127])[H:128])([C:60]([H:113])([H:114])[H:115])[C:61]([H:116])([H:117])[H:118])([H:124])[H:125])([C:65]([C:66](=[O:67])[O:68][H:120])([H:121])[H:122])[H:123])([H:107])[H:108])[H:109])([H:110])([H:111])[H:112]
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-E546 - Reaction Operator E
[#6:4]-[#6:5](=[#8:6])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#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])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H].[#6:59]-[#6:60](-[#8:61]-[H])(-[#6:62])-[H:120]>>[#6:4]-[#6:5](=[#8:6])-[#8:61]-[#6@@:60](-[#6:59])(-[#6:62])-[H:120]
EVODEX.1-C5 - 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.[H]-[#8:61]>>[#6:49]-[#8:61]
EVODEX.1-N3 - 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]-[#6:12](-[#6:11])=[#8:13])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Em48 - Reaction Operator Em
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Nm40 - Reaction Operator Nm
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
Source Full Reactions
EVODEX.1-R2042
[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:69])([H:70])[H:71])([C:7]([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:72])([C:23]([C:24]([H:73])([H:74])[H:75])([C:25]([H:76])([H:77])[H:78])[C:26]([O:27][P:28](=[O:29])([O:30][H:79])[O:31][P:32](=[O:33])([O:34][H:80])[O:35][C:36]([C@@:37]1([H:81])[O:38][C@:39]([N:40]2:[C:41]([H:82]):[N:42]:[C:43]3:[C:44]([N:45]([H:83])[H:84]):[N:46]:[C:47]([H:85]):[N:48]:[C:49]:2:3)([H:86])[C@@:50]([O:51][H:87])([H:88])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:89])[O:57][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:64][C@@:63]([C:62]([N+:59]([C:58]([H:126])([H:127])[H:128])([C:60]([H:113])([H:114])[H:115])[C:61]([H:116])([H:117])[H:118])([H:124])[H:125])([C:65]([C:66](=[O:67])[O:68][H:120])([H:121])[H:122])[H:123]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:69])([H:70])[H:71])([C:7]([C:8](=[O:9])[O:64][C@@:63]([C:62]([N+:59]([C:58]([H:126])([H:127])[H:128])([C:60]([H:113])([H:114])[H:115])[C:61]([H:116])([H:117])[H:118])([H:124])[H:125])([C:65]([C:66](=[O:67])[O:68][H:120])([H:121])[H:122])[H:123])([H:107])[H:108])[H:109])([H:110])([H:111])[H:112].[H][S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:72])([C:23]([C:24]([H:73])([H:74])[H:75])([C:25]([H:76])([H:77])[H:78])[C:26]([O:27][P:28](=[O:29])([O:30][H:79])[O:31][P:32](=[O:33])([O:34][H:80])[O:35][C:36]([C@@:37]1([H:81])[O:38][C@:39]([N:40]2:[C:41]([H:82]):[N:42]:[C:43]3:[C:44]([N:45]([H:83])[H:84]):[N:46]:[C:47]([H:85]):[N:48]:[C:49]:2:3)([H:86])[C@@:50]([O:51][H:87])([H:88])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:89])[O:57][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]