EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29N3O4 |
| Net Charge | 0 |
| Average Mass | 375.469 |
| Monoisotopic Mass | 375.21581 |
| SMILES | CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCc2ccccc2)O[C@H]1CO |
| InChI | InChI=1S/C20H29N3O4/c1-2-11-22-20(26)23-17-9-8-16(27-18(17)14-24)13-19(25)21-12-10-15-6-4-3-5-7-15/h3-9,16-18,24H,2,10-14H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18-/m0/s1 |
| InChIKey | UYZCTKNUILRIOW-KSZLIROESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide (CHEBI:99126) is a pyrans (CHEBI:26407) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10505 | LINCS |