EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28N2O6S |
| Net Charge | 0 |
| Average Mass | 424.519 |
| Monoisotopic Mass | 424.16681 |
| SMILES | COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO |
| InChI | InChI=1S/C20H28N2O6S/c1-27-17-7-3-4-8-19(17)29(25,26)21-16-10-9-15(28-18(16)14-23)13-20(24)22-11-5-2-6-12-22/h3-4,7-10,15-16,18,21,23H,2,5-6,11-14H2,1H3/t15-,16+,18+/m1/s1 |
| InChIKey | LFPPDYCBOCBVHR-RYRKJORJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide (CHEBI:99494) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10873 | LINCS |