EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H36N6O5 |
| Net Charge | 0 |
| Average Mass | 416.523 |
| Monoisotopic Mass | 416.27472 |
| SMILES | CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(=O)CNC=N)[C@@H](OC)C[C@H]2N)O1 |
| InChI | InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1 |
| InChIKey | FBYTVIISAJWXNX-WLWVOYFZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Istamycin B3 (CHEBI:81444) is a amino sugar (CHEBI:28963) |
| Manual Xrefs | Databases |
|---|---|
| C17993 | KEGG COMPOUND |