EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H30N2O4 |
| Net Charge | 0 |
| Average Mass | 326.437 |
| Monoisotopic Mass | 326.22056 |
| SMILES | CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 |
| InChI | InChI=1S/C17H30N2O4/c1-19-9-13(20)10-22-11-16-15(19)7-6-14(23-16)8-17(21)18-12-4-2-3-5-12/h12-16,20H,2-11H2,1H3,(H,18,21)/t13-,14+,15+,16-/m1/s1 |
| InChIKey | QBRAMBAEKSEBJN-FXUDXRNXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide (CHEBI:130361) is a oxanes (CHEBI:46942) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41910 | LINCS |