| Properties | Image |
|---|
| MNX_ID | MNXM156733 |
 |
| reference | keggD:D10471 |
| formula | C38H55Na9O49S7 |
| global charge | 0 |
| mol weight | 1727.188 |
| InChIKey | MVPQUSQUURLQKF-MCPDASDXSA-E |
| InChI | InChI=1S/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/q;9*+1/p-9/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-;;;;;;;;;/m1........./s1 |
| SMILES | CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/q;9*+1/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-;;;;;;;;;/m1........./s1 |
 |
| SMILES (mnx) | [CH3:1][O:64][C@@H:15]1[C@@H:12]([CH2:9][O:72][S:88]([OH:43])(=[O:44])=[O:45])[O:76][C@H:35]([O:80][C@H:21]2[C@H:19]([O:66][CH3:3])[C@@H:28]([O:69][CH3:6])[C@H:37]([O:79][C@@H:17]3[C@@H:14]([CH2:11][O:74][S:90]([OH:49])(=[O:50])=[O:51])[O:77][C@H:38]([O:81][C@H:22]4[C@H:20]([O:67][CH3:4])[C@@H:29]([O:70][CH3:7])[C@H:36]([O:78][C@@H:16]5[C@@H:13]([CH2:10][O:73][S:89]([OH:46])(=[O:47])=[O:48])[O:75][C@H:34]([O:71][CH3:8])[C@H:30]([O:86][S:93]([OH:58])(=[O:59])=[O:60])[C@H:23]5[O:84][S:91]([OH:52])(=[O:53])=[O:54])[O:83][C@H:26]4[C:33](=[O:41])[OH:42])[C@H:31]([O:87][S:94]([OH:61])(=[O:62])=[O:63])[C@H:24]3[O:85][S:92]([OH:55])(=[O:56])=[O:57])[O:82][C@@H:25]2[C:32](=[O:39])[OH:40])[C@H:27]([O:68][CH3:5])[C@H:18]1[O:65][CH3:2].[Na+:100].[Na+:101].[Na+:102].[Na+:103].[Na+:95].[Na+:96].[Na+:97].[Na+:98].[Na+:99] |
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