| Properties | Image |
|---|
| MNX_ID | MNXM39799 |
 |
| reference | metacycM:Glycoproteins |
| formula | C28H47N5O18 |
| global charge | 0 |
| mol weight | 741.701 |
| InChIKey | LUNCCTMWZWBSKQ-QHFAZAOBSA-N |
| InChI | InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1 |
| SMILES | CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(N=C(O)C[C@H](N=C(C)O)C(=N)O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8](=[N:30][C@@H:11]([CH2:4][C:15](=[N:33][CH:26]1[C@H:16]([N:31]=[C:9]([CH3:2])[OH:38])[C@@H:19]([OH:42])[C@H:23]([O:50][C@H:27]2[C@H:17]([N:32]=[C:10]([CH3:3])[OH:39])[C@@H:20]([OH:43])[C@H:24]([O:51][C@H:28]3[C@@H:22]([OH:45])[C@@H:21]([OH:44])[C@H:18]([OH:41])[C@@H:12]([CH2:5][OH:34])[O:48]3)[C@@H:14]([CH2:7][OH:36])[O:49]2)[C@@H:13]([CH2:6][OH:35])[O:47]1)[OH:40])[C:25](=[NH:29])[OH:46])[OH:37] |
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