EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H32N6O3 |
| Net Charge | 0 |
| Average Mass | 488.592 |
| Monoisotopic Mass | 488.25359 |
| SMILES | CCOc1ccc2nc(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1 |
| InChI | InChI=1S/C27H32N6O3/c1-2-35-23-10-11-25-21(16-23)15-22(27(34)28-25)17-32(18-24-9-6-14-36-24)19-26-29-30-31-33(26)13-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,15-16,24H,2,6,9,12-14,17-19H2,1H3,(H,28,34) |
| InChIKey | ISUCMNZRBYNLLZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one (CHEBI:107504) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18859 | LINCS |