EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H21N3O2 |
| Net Charge | 0 |
| Average Mass | 275.352 |
| Monoisotopic Mass | 275.16338 |
| SMILES | CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 |
| InChI | InChI=1S/C15H21N3O2/c1-9(2)17-15(20)18-12-7-16-11-6-4-3-5-10(11)14(12)13(18)8-19/h3-6,9,12-14,16,19H,7-8H2,1-2H3,(H,17,20)/t12-,13+,14+/m0/s1 |
| InChIKey | MTJHDTCXBQPDGK-BFHYXJOUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide (CHEBI:130255) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41804 | LINCS |