EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H31N3O4 |
| Net Charge | 0 |
| Average Mass | 353.463 |
| Monoisotopic Mass | 353.23146 |
| SMILES | CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2CCCCC2)O[C@H]1CO |
| InChI | InChI=1S/C18H31N3O4/c1-2-10-19-18(24)21-15-9-8-14(25-16(15)12-22)11-17(23)20-13-6-4-3-5-7-13/h8-9,13-16,22H,2-7,10-12H2,1H3,(H,20,23)(H2,19,21,24)/t14-,15-,16-/m0/s1 |
| InChIKey | KRKFLLVHIFIBNR-JYJNAYRXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cyclohexyl-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CHEBI:122260) is a pyrans (CHEBI:26407) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33703 | LINCS |