EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H28N2O5S |
| Net Charge | 0 |
| Average Mass | 396.509 |
| Monoisotopic Mass | 396.17189 |
| SMILES | CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO |
| InChI | InChI=1S/C19H28N2O5S/c1-2-27(24,25)21-17-8-7-16(26-18(17)12-22)11-19(23)20-15-9-13-5-3-4-6-14(13)10-15/h3-6,15-18,21-22H,2,7-12H2,1H3,(H,20,23)/t16-,17+,18+/m0/s1 |
| InChIKey | LZGNPRRVNFVBRK-RCCFBDPRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]acetamide (CHEBI:118801) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30250 | LINCS |