EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N2O |
| Net Charge | 0 |
| Average Mass | 204.273 |
| Monoisotopic Mass | 204.12626 |
| SMILES | CN1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21 |
| InChI | InChI=1S/C12H16N2O/c1-14-10-6-13-9-5-3-2-4-8(9)12(10)11(14)7-15/h2-5,10-13,15H,6-7H2,1H3/t10-,11-,12+/m1/s1 |
| InChIKey | MIKIZKWFQLOEBP-UTUOFQBUSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol (CHEBI:126019) is a aminoquinoline (CHEBI:36709) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37586 | LINCS |