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]2:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:2[H:86])[H:87])[H:88])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[H:86])[H:87])[H:88]
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-C159 - 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]-[#6:4])-[#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]
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]
EVODEX.1-Em577 - Reaction Operator Em
[#6]-[#16]-[#6:4](-[#6:2]=[#6:1])=[#8:5]>>[H]-[#8]-[#6:4](-[#6:2]=[#6:1])=[#8:5]
EVODEX.1-Nm176 - Reaction Operator Nm
[#6]-[#16]-[#6:4](-[#6:2])=[#8:5]>>[H]-[#8]-[#6:4](-[#6:2])=[#8:5]
Source Full Reactions
EVODEX.1-R5006
[C:1]([C:2]([C:3]([H:61])([H:62])[H:63])([C:4]([O:5][P:6](=[O:7])([O:8][H:64])[O:9][P:10](=[O:11])([O:12][H:65])[O:13][C:14]([C@@:15]1([H:66])[O:16][C@:17]([N:18]2:[C:19]([H:67]):[N:20]:[C:21]3:[C:22]([N:23]([H:68])[H:69]):[N:24]:[C:25]([H:70]):[N:26]:[C:27]:2:3)([H:71])[C@@:28]([O:29][H:72])([H:73])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:74])[O:35][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])[C@@:36]([O:37][H:81])([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]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[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][O:60][H:103]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:82]):[C:55]([H:83]):[C:56]([O:57][H:84]):[C:58]([H:85]):[C:59]:1[H:86])[H:87])[H:88])[O:60][H:103].[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:100])([H:101])[H:102])([C:3]([H:61])([H:62])[H:63])[C:4]([O:5][P:6](=[O:7])([O:8][H:64])[O:9][P:10](=[O:11])([O:12][H:65])[O:13][C:14]([C@@:15]1([H:66])[O:16][C@:17]([N:18]2:[C:19]([H:67]):[N:20]:[C:21]3:[C:22]([N:23]([H:68])[H:69]):[N:24]:[C:25]([H:70]):[N:26]:[C:27]:2:3)([H:71])[C@@:28]([O:29][H:72])([H:73])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:74])[O:35][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([O:37][H:81])[H:99])=[O:39])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:44])[H:93])([H:91])[H:92])([H:89])[H:90]