| Properties | Image |
|---|
| MNX_ID | MNXM152557 |
 |
| reference | chebi:31255 |
| formula | C18H39N5O14S |
| global charge | 0 |
| mol weight | 581.598 |
| InChIKey | YGTPKDKJVZOVCO-KELBJJLKSA-N |
| InChI | InChI=1S/C18H37N5O10.H2O4S/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18;1-5(2,3)4/h4-18,24-29H,1-3,19-23H2;(H2,1,2,3,4)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+;/m0./s1 |
| SMILES | NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H37N5O10.H2O4S/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18;1-5(2,3)4/h4-18,24-29H,1-3,19-23H2;(H2,1,2,3,4)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+;/m0./s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:4]([NH2:20])[C@@H:15]([O:32][C@@H:17]2[C@H:9]([NH2:23])[C@@H:12]([OH:27])[C@H:11]([OH:26])[C@@H:6]([CH2:2][NH2:19])[O:30]2)[C@H:14]([OH:29])[C@@H:16]([O:33][C@@H:18]2[C@H:13]([OH:28])[C@@H:8]([NH2:22])[C@H:10]([OH:25])[C@@H:7]([CH2:3][OH:24])[O:31]2)[C@@H:5]1[NH2:21].[OH:34][S:38]([OH:35])(=[O:36])=[O:37] |
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