EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H31N3O5S |
| Net Charge | 0 |
| Average Mass | 437.562 |
| Monoisotopic Mass | 437.19844 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)S(C)(=O)=O |
| InChI | InChI=1S/C21H31N3O5S/c1-14-11-24(15(2)13-25)21(26)18-9-17(16-7-5-6-8-16)10-22-20(18)29-19(14)12-23(3)30(4,27)28/h7,9-10,14-15,19,25H,5-6,8,11-13H2,1-4H3/t14-,15-,19+/m1/s1 |
| InChIKey | YKXPYIASKYVMCP-CLCXKQKWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:109990) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21417 | LINCS |