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 | CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 |
| InChI | InChI=1S/C20H30N4O4/c1-23-8-10-24(11-9-23)20(27)13-16-5-6-17(18(14-25)28-16)22-19(26)12-15-4-2-3-7-21-15/h2-4,7,16-18,25H,5-6,8-14H2,1H3,(H,22,26)/t16-,17-,18+/m0/s1 |
| InChIKey | HBUPPCLFCIMQJL-OKZBNKHCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide (CHEBI:118642) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30091 | LINCS |