EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N2O5S |
| Net Charge | 0 |
| Average Mass | 410.536 |
| Monoisotopic Mass | 410.18754 |
| SMILES | Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1 |
| InChI | InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18+,19-/m1/s1 |
| InChIKey | VPHPWASIVZFRRJ-NZSAHSFTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide (CHEBI:98242) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9621 | LINCS |