EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H33N3O4 |
| Net Charge | 0 |
| Average Mass | 355.479 |
| Monoisotopic Mass | 355.24711 |
| SMILES | O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCN1CCCCC1 |
| InChI | InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15-,16+,17-/m0/s1 |
| InChIKey | WSFSIZCPNKDEIH-NXOAAHMSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:100117) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11496 | LINCS |