| Properties | Image |
|---|
| MNX_ID | MNXM3222 |
 |
| reference | chebi:63846 |
| formula | C34H58N2O35S3 |
| global charge | 0 |
| mol weight | 1151.018 |
| InChIKey | IPSMOUOOQLUTHC-OVYIXGPZSA-N |
| InChI | InChI=1S/C34H58N2O35S3/c1-8(39)35-15-21(45)27(14(7-62-74(57,58)59)66-31(15)70-28-18(42)10(3-37)63-30(50)24(28)48)69-34-25(49)29(19(43)11(4-38)64-34)71-32-16(36-9(2)40)20(44)26(13(67-32)6-61-73(54,55)56)68-33-23(47)22(46)17(41)12(65-33)5-60-72(51,52)53/h10-34,37-38,41-50H,3-7H2,1-2H3,(H,35,39)(H,36,40)(H,51,52,53)(H,54,55,56)(H,57,58,59)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30?,31+,32+,33+,34+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4O)O[C@@H]3COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C34H58N2O35S3/c1-8(39)35-15-21(45)27(14(7-62-74(57,58)59)66-31(15)70-28-18(42)10(3-37)63-30(50)24(28)48)69-34-25(49)29(19(43)11(4-38)64-34)71-32-16(36-9(2)40)20(44)26(13(67-32)6-61-73(54,55)56)68-33-23(47)22(46)17(41)12(65-33)5-60-72(51,52)53/h10-34,37-38,41-50H,3-7H2,1-2H3,(H,35,39)(H,36,40)(H,51,52,53)(H,54,55,56)(H,57,58,59)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30?,31+,32+,33+,34+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8](=[N:35][C@@H:15]1[C@@H:21]([OH:45])[C@H:27]([O:69][C@H:34]2[C@H:25]([OH:49])[C@@H:29]([O:71][C@H:32]3[C@H:16]([N:36]=[C:9]([CH3:2])[OH:40])[C@@H:20]([OH:44])[C@H:26]([O:68][C@H:33]4[C@H:23]([OH:47])[C@@H:22]([OH:46])[C@@H:17]([OH:41])[C@@H:12]([CH2:5][O:60][S:72]([OH:51])(=[O:52])=[O:53])[O:65]4)[C@@H:13]([CH2:6][O:61][S:73]([OH:54])(=[O:55])=[O:56])[O:67]3)[C@@H:19]([OH:43])[C@@H:11]([CH2:4][OH:38])[O:64]2)[C@@H:14]([CH2:7][O:62][S:74]([OH:57])(=[O:58])=[O:59])[O:66][C@H:31]1[O:70][C@H:28]1[C@@H:18]([OH:42])[C@@H:10]([CH2:3][OH:37])[O:63][CH:30]([OH:50])[C@@H:24]1[OH:48])[OH:39] |
|