EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H29N3O7S |
| Net Charge | 0 |
| Average Mass | 503.577 |
| Monoisotopic Mass | 503.17262 |
| SMILES | COc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(C)(=O)=O)cc3C(=O)N2C)O1 |
| InChI | InChI=1S/C24H29N3O7S/c1-27-19-10-9-16(13-23(28)25-18-6-4-5-7-21(18)32-2)34-22(19)14-33-20-11-8-15(26-35(3,30)31)12-17(20)24(27)29/h4-8,11-12,16,19,22,26H,9-10,13-14H2,1-3H3,(H,25,28)/t16-,19+,22-/m1/s1 |
| InChIKey | XMFATHMNUBILAV-GTCCEBARSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyphenyl)acetamide (CHEBI:99969) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11348 | LINCS |