EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N4O4 |
| Net Charge | 0 |
| Average Mass | 390.484 |
| Monoisotopic Mass | 390.22671 |
| SMILES | CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 |
| InChI | InChI=1S/C20H30N4O4/c1-24(2)10-4-9-22-19(26)12-16-6-7-17(18(14-25)28-16)23-20(27)11-15-5-3-8-21-13-15/h3,5-8,13,16-18,25H,4,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-,18-/m1/s1 |
| InChIKey | DTKWTAJBQNGVNM-KZNAEPCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(dimethylamino)propyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CHEBI:118964) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30413 | LINCS |