| Properties | Image |
|---|
| MNX_ID | MNXM1106860 |
 |
| reference | metacycM:CPD-9439 |
| formula | C24H36O39S6 |
| global charge | -6 |
| mol weight | 1140.915 |
| InChIKey | CFLYIPGVTFOQCI-SDNHUNQPSA-H |
| InChI | InChI=1S/C24H42O39S6/c25-1-5-9(27)11(29)18(61-67(42,43)44)22(54-5)57-15-8(4-52-65(36,37)38)56-23(19(13(15)31)62-68(45,46)47)59-16-10(28)6(2-26)55-24(20(16)63-69(48,49)50)58-14-7(3-51-64(33,34)35)53-21(32)17(12(14)30)60-66(39,40)41/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/p-6/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21?,22+,23-,24+/m1/s1 |
| SMILES | O=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)[O-])C(O)O[C@@H]3COS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OS(=O)(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C24H42O39S6/c25-1-5-9(27)11(29)18(61-67(42,43)44)22(54-5)57-15-8(4-52-65(36,37)38)56-23(19(13(15)31)62-68(45,46)47)59-16-10(28)6(2-26)55-24(20(16)63-69(48,49)50)58-14-7(3-51-64(33,34)35)53-21(32)17(12(14)30)60-66(39,40)41/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21?,22+,23-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:5]1[C@H:9]([OH:27])[C@H:11]([OH:29])[C@@H:18]([O:61][S:67]([OH:42])(=[O:43])=[O:44])[C@H:22]([O:57][C@H:15]2[C@@H:8]([CH2:4][O:52][S:65]([OH:36])(=[O:37])=[O:38])[O:56][C@H:23]([O:59][C@H:16]3[C@@H:10]([OH:28])[C@@H:6]([CH2:2][OH:26])[O:55][C@@H:24]([O:58][C@H:14]4[C@@H:7]([CH2:3][O:51][S:64]([OH:33])(=[O:34])=[O:35])[O:53][CH:21]([OH:32])[C@H:17]([O:60][S:66]([OH:39])(=[O:40])=[O:41])[C@H:12]4[OH:30])[C@@H:20]3[O:63][S:69]([OH:48])(=[O:49])=[O:50])[C@H:19]([O:62][S:68]([OH:45])(=[O:46])=[O:47])[C@H:13]2[OH:31])[O:54]1)[OH:25] |
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