EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N4O4S |
| Net Charge | 0 |
| Average Mass | 422.551 |
| Monoisotopic Mass | 422.19878 |
| SMILES | CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)[C@@H](CO)O2)nn1 |
| InChI | InChI=1S/C20H30N4O4S/c1-15(2)19-12-24(23-21-19)11-10-17-8-9-18(20(13-25)28-17)22-29(26,27)14-16-6-4-3-5-7-16/h3-7,12,15,17-18,20,22,25H,8-11,13-14H2,1-2H3/t17-,18-,20+/m0/s1 |
| InChIKey | RRAIEYROWAKKHB-CMKODMSKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide (CHEBI:118883) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30332 | LINCS |