SMIRKS
[C:1]([C@:2]([O:3][H:43])([C:4]([O:5][H:44])([H:45])[H:46])[C@:6]([O:7][H:47])([C:8]([O:9][P:10](=[O:11])([O:12][H:48])[O:13][P:14](=[O:15])([O:16][H:49])[O:17][C:18]([C@@:19]1([H:50])[O:20][C@:21]([N:22]2:[C:23]([H:51]):[C:24]([H:52]):[C:25]([N:26]([H:53])[H:54]):[N:27]:[C:28]:2=[O:29])([H:55])[C@@:30]([O:31][H:56])([H:57])[C@@:32]1([O:33][H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]>>[H][O:13][P:10]([O:9][C:8]([C@:6]([C@@:2]([C:1]([H:65])([H:66])[H:67])([O:3][H:43])[C:4]([O:5][H:44])([H:45])[H:46])([O:7][H:47])[H:64])([H:62])[H:63])(=[O:11])[O:12][H:48].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:14](=[O:15])([O:16][H:49])[O:17][C:18]([C@@:19]1([H:50])[O:20][C@:21]([N:22]2:[C:23]([H:51]):[C:24]([H:52]):[C:25]([N:26]([H:53])[H:54]):[N:27]:[C:28]:2=[O:29])([H:55])[C@@:30]([O:31][H:56])([H:57])[C@@:32]1([O:33][H:58])[H:59])([H:60])[H:61]
Derived Operators
EVODEX.1-F131 - Elemental Balance
| P | 2 |
| O | 7 |
| H | 4 |
EVODEX.1-M65 - Mass Difference
177.94322
EVODEX.1-E771 - Reaction Operator E
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:19](-[#15:20])-[H]
EVODEX.1-C1349 - Reaction Operator C
([#8:13]-[#15:14].[#6@:2])>>([H]-[#8:13].[#6@@:2]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:14]
EVODEX.1-N1709 - Reaction Operator N
([#6:1]-[#6@:2](-[#8:3])(-[#6:4])-[#6@:6].[#15:10]-[#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:17])>>([H]-[#8:13]-[#15:10].[#6:1]-[#6@:2](-[#6@:6])(-[#8:3])-[#6:4]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:14](=[#8:15])(-[#8:16])-[#8:17]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4483
[C:1]([C@:2]([O:3][H:43])([C:4]([O:5][H:44])([H:45])[H:46])[C@:6]([O:7][H:47])([C:8]([O:9][P:10](=[O:11])([O:12][H:48])[O:13][P:14](=[O:15])([O:16][H:49])[O:17][C:18]([C@@:19]1([H:50])[O:20][C@:21]([N:22]2:[C:23]([H:51]):[C:24]([H:52]):[C:25]([N:26]([H:53])[H:54]):[N:27]:[C:28]:2=[O:29])([H:55])[C@@:30]([O:31][H:56])([H:57])[C@@:32]1([O:33][H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:36][P:35](=[O:34])([O:37][H:69])[O:38][P:39](=[O:40])([O:41][H:70])[O:42][H:71]>>[H][O:13][P:10]([O:9][C:8]([C@:6]([C@@:2]([C:1]([H:65])([H:66])[H:67])([O:3][H:43])[C:4]([O:5][H:44])([H:45])[H:46])([O:7][H:47])[H:64])([H:62])[H:63])(=[O:11])[O:12][H:48].[P:14](=[O:15])([O:16][H:49])([O:17][C:18]([C@@:19]1([H:50])[O:20][C@:21]([N:22]2:[C:23]([H:51]):[C:24]([H:52]):[C:25]([N:26]([H:53])[H:54]):[N:27]:[C:28]:2=[O:29])([H:55])[C@@:30]([O:31][H:56])([H:57])[C@@:32]1([O:33][H:58])[H:59])([H:60])[H:61])[O:36][P:35](=[O:34])([O:37][H:69])[O:38][P:39](=[O:40])([O:41][H:70])[O:42][H:71]