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])SC(=O)C([H])([H])[C:56]([C:57]([C:58]([O:59][H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C([H])([H])[C:56]([C:57]([C:58]([O:59][H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91]
Derived Operators
EVODEX.1-F300 - Elemental Balance
| P | -3 |
| O | -15 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -34 |
EVODEX.1-M51 - Mass Difference
-749.10492
EVODEX.1-E1068 - 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]>>[#6:49](=[#8:50])(-[#6@:51])-[#8]-[H]
EVODEX.1-C1363 - 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](=[#8])-[#6](-[H])-[H])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6](=[#8])-[#6](-[H])-[H]
EVODEX.1-N49 - 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]-[#6:4](-[#6:2])=[#8:5])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6:4](-[#6:2])=[#8:5]
Source Full Reactions
EVODEX.1-R4662
[H][C:1]([C:2](=[O:3])[O:4][H:60])([H:61])[H:62].[C:5]([C:6]([C:7]([H:64])([H:65])[H:66])([C:8]([O:9][P:10](=[O:11])([O:12][H:67])[O:13][P:14](=[O:15])([O:16][H:68])[O:17][C:18]([C@@:19]1([H:69])[O:20][C@:21]([N:22]2:[C:23]([H:70]):[N:24]:[C:25]3:[C:26]([N:27]([H:71])[H:72]):[N:28]:[C:29]([H:73]):[N:30]:[C:31]:2:3)([H:74])[C@@:32]([O:33][H:75])([H:76])[C@@:34]1([O:35][P:36](=[O:37])([O:38][H:77])[O:39][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[C@@:40]([O:41][H:84])([C:42](=[O:43])[N:44]([C:45]([C:46]([C:47](=[O:48])[N:49]([C:50]([C:51]([S:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([O:59][H:85])([H:86])[H:87])([H:88])[H:89])([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]>>[C:1]([C:2](=[O:3])[O:4][H:60])([C:56]([C:57]([C:58]([O:59][H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:61])[H:62].[H][C:55]([C:53]([S:52][C:51]([C:50]([N:49]([C:47]([C:46]([C:45]([N:44]([C:42]([C@@:40]([C:6]([C:5]([H:105])([H:106])[H:107])([C:7]([H:64])([H:65])[H:66])[C:8]([O:9][P:10](=[O:11])([O:12][H:67])[O:13][P:14](=[O:15])([O:16][H:68])[O:17][C:18]([C@@:19]1([H:69])[O:20][C@:21]([N:22]2:[C:23]([H:70]):[N:24]:[C:25]3:[C:26]([N:27]([H:71])[H:72]):[N:28]:[C:29]([H:73]):[N:30]:[C:31]:2:3)([H:74])[C@@:32]([O:33][H:75])([H:76])[C@@:34]1([O:35][P:36](=[O:37])([O:38][H:77])[O:39][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([O:41][H:84])[H:104])=[O:43])[H:103])([H:101])[H:102])([H:99])[H:100])=[O:48])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:54])([H:92])[H:93]