EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H35N3O5S |
| Net Charge | 0 |
| Average Mass | 453.605 |
| Monoisotopic Mass | 453.22974 |
| SMILES | O=C(CCN1CCCCC1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO |
| InChI | InChI=1S/C22H35N3O5S/c26-17-21-20(24-22(27)12-16-25-14-5-2-6-15-25)10-9-18(30-21)11-13-23-31(28,29)19-7-3-1-4-8-19/h1,3-4,7-8,18,20-21,23,26H,2,5-6,9-17H2,(H,24,27)/t18-,20-,21-/m1/s1 |
| InChIKey | GOYHAEMMGZTJNJ-HMXCVIKNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(1-piperidinyl)propanamide (CHEBI:118839) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30288 | LINCS |