EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H31N3O5 |
| Net Charge | 0 |
| Average Mass | 381.473 |
| Monoisotopic Mass | 381.22637 |
| SMILES | O=C(NC1CCCCC1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO |
| InChI | InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16-,17-/m0/s1 |
| InChIKey | RNIDAHWWXILMTD-ULQDDVLXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclohexyl-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea (CHEBI:97515) is a morpholines (CHEBI:38785) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8894 | LINCS |