EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26N2O5 |
| Net Charge | 0 |
| Average Mass | 362.426 |
| Monoisotopic Mass | 362.18417 |
| SMILES | CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO |
| InChI | InChI=1S/C19H26N2O5/c1-3-18(23)21-16-9-8-15(26-17(16)12-22)10-19(24)20-11-13-4-6-14(25-2)7-5-13/h4-9,15-17,22H,3,10-12H2,1-2H3,(H,20,24)(H,21,23)/t15-,16-,17+/m1/s1 |
| InChIKey | XXVQYUMJVNBNLA-ZACQAIPSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]propanamide (CHEBI:123538) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34980 | LINCS |