EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H32N4O5 |
| Net Charge | 0 |
| Average Mass | 420.510 |
| Monoisotopic Mass | 420.23727 |
| SMILES | O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCCc1ccncc1 |
| InChI | InChI=1S/C21H32N4O5/c26-15-19-18(24-21(28)14-25-9-11-29-12-10-25)2-1-17(30-19)13-20(27)23-8-5-16-3-6-22-7-4-16/h3-4,6-7,17-19,26H,1-2,5,8-15H2,(H,23,27)(H,24,28)/t17-,18+,19-/m1/s1 |
| InChIKey | ZJAQJJRCHWWGEL-CEXWTWQISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:119156) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30605 | LINCS |