EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H28N4O4 |
| Net Charge | 0 |
| Average Mass | 484.556 |
| Monoisotopic Mass | 484.21106 |
| SMILES | CC(=O)N1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 |
| InChI | InChI=1S/C28H28N4O4/c1-17(34)32-24-15-31-23(9-8-21(27(31)35)19-7-4-11-29-13-19)26(32)25(22(24)16-33)28(36)30-12-10-18-5-2-3-6-20(18)14-30/h2-9,11,13,22,24-26,33H,10,12,14-16H2,1H3/t22-,24-,25+,26+/m0/s1 |
| InChIKey | KMPCXPGJDHNPDW-ADXHGGABSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11472 (CHEBI:100093) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11472 | LINCS |