EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H33N3O5S |
| Net Charge | 0 |
| Average Mass | 439.578 |
| Monoisotopic Mass | 439.21409 |
| SMILES | O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCCN1CCCCC1 |
| InChI | InChI=1S/C21H33N3O5S/c25-16-20-19(23-30(27,28)18-7-3-1-4-8-18)10-9-17(29-20)15-21(26)22-11-14-24-12-5-2-6-13-24/h1,3-4,7-8,17,19-20,23,25H,2,5-6,9-16H2,(H,22,26)/t17-,19+,20-/m0/s1 |
| InChIKey | WDGFJBRIXWVRNV-SXLOBPIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5R,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:118501) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29950 | LINCS |