EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H29N3O6S |
| Net Charge | 0 |
| Average Mass | 463.556 |
| Monoisotopic Mass | 463.17771 |
| SMILES | COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Cc3ccccn3)O[C@@H]2CO)cc1 |
| InChI | InChI=1S/C22H29N3O6S/c1-30-17-5-8-19(9-6-17)32(28,29)25-20-10-7-18(31-21(20)15-26)11-13-24-22(27)14-16-4-2-3-12-23-16/h2-6,8-9,12,18,20-21,25-26H,7,10-11,13-15H2,1H3,(H,24,27)/t18-,20+,21+/m0/s1 |
| InChIKey | AOROBJTWHRZKJU-CEWLAPEOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide (CHEBI:117952) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29401 | LINCS |