| Properties | Image |
|---|
| MNX_ID | MNXM105525 |
 |
| reference | chebi:15981 |
| formula | C18H32N2O27S4 |
| global charge | 0 |
| mol weight | 836.709 |
| InChIKey | VSXIOTKSXGXRCF-IMFNMLJDSA-N |
| InChI | InChI=1S/C18H32N2O27S4/c19-5-11(46-50(34,35)36)7(22)3(1-21)42-17(5)44-12-9(24)13(47-51(37,38)39)18(45-14(12)15(25)26)43-10-4(2-40-49(31,32)33)41-16(27)6(8(10)23)20-48(28,29)30/h3-14,16-18,20-24,27H,1-2,19H2,(H,25,26)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/t3-,4-,5-,6-,7-,8-,9+,10-,11-,12+,13-,14-,16+,17-,18-/m1/s1 |
| SMILES | N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]3[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]3COS(=O)(=O)O)O[C@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H32N2O27S4/c19-5-11(46-50(34,35)36)7(22)3(1-21)42-17(5)44-12-9(24)13(47-51(37,38)39)18(45-14(12)15(25)26)43-10-4(2-40-49(31,32)33)41-16(27)6(8(10)23)20-48(28,29)30/h3-14,16-18,20-24,27H,1-2,19H2,(H,25,26)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/t3-,4-,5-,6-,7-,8-,9+,10-,11-,12+,13-,14-,16+,17-,18-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:3]1[C@@H:7]([OH:22])[C@H:11]([O:46][S:50]([OH:34])(=[O:35])=[O:36])[C@@H:5]([NH2:19])[C@@H:17]([O:44][C@H:12]2[C@H:9]([OH:24])[C@@H:13]([O:47][S:51]([OH:37])(=[O:38])=[O:39])[C@H:18]([O:43][C@@H:10]3[C@@H:4]([CH2:2][O:40][S:49]([OH:31])(=[O:32])=[O:33])[O:41][C@H:16]([OH:27])[C@H:6]([NH:20][S:48]([OH:28])(=[O:29])=[O:30])[C@H:8]3[OH:23])[O:45][C@H:14]2[C:15](=[O:25])[OH:26])[O:42]1)[OH:21] |
|