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:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])=[O:21])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])O[C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])=[O:21]
Derived Operators
EVODEX.1-F325 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -18 |
| S | -1 |
| N | -7 |
| H | -27 |
EVODEX.1-M335 - Mass Difference
-595.10181
EVODEX.1-E1107 - 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]-[#6:116](=[#8:117])-[#6:118])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:116](=[#8:117])(-[#6:118])-[#8]-[#6](-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C297 - 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]-[#6:116])-[#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@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:116]
EVODEX.1-N336 - 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]-[#6:116](=[#8:117])-[#6:118])-[#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@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:116](=[#8:117])-[#6:118]
EVODEX.1-Em7 - Reaction Operator Em
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
EVODEX.1-Nm8 - Reaction Operator Nm
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
Source Full Reactions
EVODEX.1-R2079
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])[H:105])([H:106])[H:107])([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])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])([H:152])[H:153].[H][O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:154])[O:73][H:155])([H:161])[H:162])([O:77][H:156])[H:160])([H:158])[H:159]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:154])[O:73][H:155])([H:161])[H:162])([O:77][H:156])[H:160])([H:158])[H:159])([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])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])([H:152])[H:153].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])[H:105])([H:106])[H:107])([H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114]