EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H43N3O4 |
| Net Charge | 0 |
| Average Mass | 485.669 |
| Monoisotopic Mass | 485.32536 |
| SMILES | O=C(CCN1CCCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCC(Cc3ccccc3)CC2)O[C@H]1CO |
| InChI | InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25+,26-/m0/s1 |
| InChIKey | HBACCIGQRKGJSE-NXCFDTQHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide (CHEBI:98581) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9960 | LINCS |