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:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:137])([H:138])[H:139])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])=[O:9])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:75][H:143]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:75][H:143])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])([H:138])[H:139]
Derived Operators
EVODEX.1-F549 - Elemental Balance
| P | -4 |
| O | -22 |
| C | -31 |
| S | -1 |
| N | -12 |
| H | -48 |
EVODEX.1-M519 - Mass Difference
-1096.1681399999998
EVODEX.1-E1370 - 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].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8:83]-[H:143])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:49](=[#8:50])(-[#6@:51])-[#8:83]-[H:143]
EVODEX.1-C765 - 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@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:71]>>[#6:4]-[#8:71]
EVODEX.1-N976 - 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@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:71]-[H:131]>>[#6:2]-[#6:4](=[#8:5])-[#8:71]-[H:131]
EVODEX.1-Em138 - Reaction Operator Em
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8]-[#15](=[#8])(-[#8])-[#8:78]>>[#6:49](=[#8:50])(-[#6:51])-[#8:78]
EVODEX.1-Nm171 - Reaction Operator Nm
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8]-[#15](=[#8])(-[#8])-[#8:78]>>[#6:49](=[#8:50])(-[#6:51])-[#8:78]
Source Full Reactions
EVODEX.1-R7207
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([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:90])([C:23]([C:24]([H:91])([H:92])[H:93])([C:25]([H:94])([H:95])[H:96])[C:26]([O:27][P:28](=[O:29])([O:30][H:97])[O:31][P:32](=[O:33])([O:34][H:98])[O:35][C:36]([C@@:37]1([H:99])[O:38][C@:39]([N:40]2:[C:41]([H:100]):[N:42]:[C:43]3:[C:44]([N:45]([H:101])[H:102]):[N:46]:[C:47]([H:103]):[N:48]:[C:49]:2:3)([H:104])[C@@:50]([O:51][H:105])([H:106])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:107])[O:57][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])([H:138])[H:139].[N:58]([C:59]1:[N:60]:[C:61]([H:140]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:141]):[N:67]:2[C@:68]1([H:142])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:75][H:143])[O:76][H:144])([H:145])[H:146])([H:147])[C@:77]([O:78][H:148])([H:149])[C@:79]1([O:80][H:150])[H:151])([H:152])[H:153].[H][O:83][P:82](=[O:81])([O:84][H:155])[O:85][P:86](=[O:87])([O:88][H:156])[O:89][H:157]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:75][H:143])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])([H:138])[H:139].[N:58]([C:59]1:[N:60]:[C:61]([H:140]):[N:62]:[C:63]2:[C:64]:1:[N:65]:[C:66]([H:141]):[N:67]:2[C@:68]1([H:142])[O:69][C@@:70]([C:71]([O:72][P:73](=[O:74])([O:76][H:144])[O:83][P:82](=[O:81])([O:84][H:155])[O:85][P:86](=[O:87])([O:88][H:156])[O:89][H:157])([H:145])[H:146])([H:147])[C@:77]([O:78][H:148])([H:149])[C@:79]1([O:80][H:150])[H:151])([H:152])[H:153].[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:90])([C:23]([C:24]([H:91])([H:92])[H:93])([C:25]([H:94])([H:95])[H:96])[C:26]([O:27][P:28](=[O:29])([O:30][H:97])[O:31][P:32](=[O:33])([O:34][H:98])[O:35][C:36]([C@@:37]1([H:99])[O:38][C@:39]([N:40]2:[C:41]([H:100]):[N:42]:[C:43]3:[C:44]([N:45]([H:101])[H:102]):[N:46]:[C:47]([H:103]):[N:48]:[C:49]:2:3)([H:104])[C@@:50]([O:51][H:105])([H:106])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:107])[O:57][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])[H:120])([H:121])[H:122])([H:123])[H:124]