SMIRKS
[H]OP(=O)(O[H])O[C@@:22]1([H:35])[O:23][C@@:24]([C:25]([O:26][H:36])([H:37])[H:38])([H:39])[C@:27]([O:28][H:40])([H:41])[C@@:29]([O:30][H:42])([H:43])[C@:31]1([O:32][H:44])[H:45].[H][O:10][C@:9]1([C:11]([O:12][H:50])([H:51])[H:52])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:46])[O:4][H:47])([H:57])[H:58])([H:48])[C@:15]([O:16][H:55])([H:56])[C@@:13]1([O:14][H:53])[H:54]>>[O:1]=[P:2]([O:3][H:46])([O:4][H:47])[O:5][C:6]([C@@:7]1([H:48])[O:8][C@:9]([O:10][C@@:22]2([H:35])[O:23][C@@:24]([C:25]([O:26][H:36])([H:37])[H:38])([H:39])[C@:27]([O:28][H:40])([H:41])[C@@:29]([O:30][H:42])([H:43])[C@:31]2([O:32][H:44])[H:45])([C:11]([O:12][H:50])([H:51])[H:52])[C@:13]([O:14][H:53])([H:54])[C@@:15]1([O:16][H:55])[H:56])([H:57])[H:58]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E854 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6@:16](-[H:29])(-[#8:17])-[#6@:25].[#8:8](-[#6@:7])-[H]>>[#8:8](-[#6@:7])-[#6:16](-[H:29])(-[#8:17])-[#6@:25]
EVODEX.1-C1258 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22].([H]-[#8:10].[#6@:15]-[#6@@:13])>>([#8:10]-[#6@@:22].[#6@:13]-[#6@@:15])
EVODEX.1-N1569 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:35])(-[#8:23])-[#6@:31].[H]-[#8:10]-[#6@:9]-[#6@:13](-[#6@@:15](-[#6@@:7])(-[#8:16])-[H:56])(-[#8:14])-[H:54]>>[#8:10](-[#6@:9]-[#6@:13](-[#8:14])(-[H:54])-[#6@@:15](-[#6@@:7])(-[#8:16])-[H:56])-[#6@@:22](-[H:35])(-[#8:23])-[#6@:31]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3156
[O:17]=[P:18]([O:19][H:33])([O:20][H:34])[O:21][C@@:22]1([H:35])[O:23][C@@:24]([C:25]([O:26][H:36])([H:37])[H:38])([H:39])[C@:27]([O:28][H:40])([H:41])[C@@:29]([O:30][H:42])([H:43])[C@:31]1([O:32][H:44])[H:45].[H][O:10][C@:9]1([C:11]([O:12][H:50])([H:51])[H:52])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:46])[O:4][H:47])([H:57])[H:58])([H:48])[C@:15]([O:16][H:55])([H:56])[C@@:13]1([O:14][H:53])[H:54]>>[H][O:21][P:18](=[O:17])([O:19][H:33])[O:20][H:34].[O:1]=[P:2]([O:3][H:46])([O:4][H:47])[O:5][C:6]([C@@:7]1([H:48])[O:8][C@:9]([O:10][C@@:22]2([H:35])[O:23][C@@:24]([C:25]([O:26][H:36])([H:37])[H:38])([H:39])[C@:27]([O:28][H:40])([H:41])[C@@:29]([O:30][H:42])([H:43])[C@:31]2([O:32][H:44])[H:45])([C:11]([O:12][H:50])([H:51])[H:52])[C@:13]([O:14][H:53])([H:54])[C@@:15]1([O:16][H:55])[H:56])([H:57])[H:58]