EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3O5S |
| Net Charge | 0 |
| Average Mass | 419.503 |
| Monoisotopic Mass | 419.15149 |
| SMILES | O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cccnc1 |
| InChI | InChI=1S/C20H25N3O5S/c24-14-19-18(23-20(25)15-5-4-11-21-13-15)9-8-16(28-19)10-12-22-29(26,27)17-6-2-1-3-7-17/h1-7,11,13,16,18-19,22,24H,8-10,12,14H2,(H,23,25)/t16-,18-,19-/m1/s1 |
| InChIKey | CSAZNKSAKUIKBW-BHIYHBOVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide (CHEBI:122259) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33702 | LINCS |