EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H27N3O6S |
| Net Charge | 0 |
| Average Mass | 449.529 |
| Monoisotopic Mass | 449.16206 |
| SMILES | COc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)NCc3ccncc3)O[C@H]2CO)c1 |
| InChI | InChI=1S/C21H27N3O6S/c1-29-16-3-2-4-18(11-16)31(27,28)24-19-6-5-17(30-20(19)14-25)12-21(26)23-13-15-7-9-22-10-8-15/h2-4,7-11,17,19-20,24-25H,5-6,12-14H2,1H3,(H,23,26)/t17-,19-,20+/m1/s1 |
| InChIKey | XDZGUUVZSOVFIF-RLLQIKCJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]-2-oxanyl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:118626) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30075 | LINCS |