| Properties | Image |
|---|
| MNX_ID | MNXM161313 |
 |
| reference | keggD:D05936 |
| formula | C12H28K8O42S8 |
| global charge | 0 |
| mol weight | 1413.634 |
| InChIKey | ZLYYTLMQNBUBHA-NGOJJLSFSA-F |
| InChI | InChI=1S/C12H22O35S8.8K.7H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;7*1H2/q;8*+1;;;;;;;/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;/m1.............../s1 |
| SMILES | O.O.O.O.O.O.O.O=S(=O)([O-])OC[C@H]1O[C@@](COS(=O)(=O)[O-])(O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+] |
MNX internals
| InChI (mnx) | InChI=1/C12H22O35S8.8K.7H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;7*1H2/q;8*+1;;;;;;;/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;/m1.............../s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:4]1[C@@H:6]([O:43][S:51]([OH:22])(=[O:23])=[O:24])[C@H:8]([O:45][S:53]([OH:28])(=[O:29])=[O:30])[C@@H:9]([O:46][S:54]([OH:31])(=[O:32])=[O:33])[C@@H:11]([O:42][C@@:12]2([CH2:3][O:39][S:50]([OH:19])(=[O:20])=[O:21])[C@@H:10]([O:47][S:55]([OH:34])(=[O:35])=[O:36])[C@H:7]([O:44][S:52]([OH:25])(=[O:26])=[O:27])[C@@H:5]([CH2:2][O:38][S:49]([OH:16])(=[O:17])=[O:18])[O:41]2)[O:40]1)[O:37][S:48]([OH:13])(=[O:14])=[O:15].[K+:56].[K+:57].[K+:58].[K+:59].[K+:60].[K+:61].[K+:62].[K+:63].[OH2:64].[OH2:65].[OH2:66].[OH2:67].[OH2:68].[OH2:69].[OH2:70] |
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