EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29FN4O3 |
| Net Charge | 0 |
| Average Mass | 488.563 |
| Monoisotopic Mass | 488.22237 |
| SMILES | O=C(NCc1cccc(F)c1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1 |
| InChI | InChI=1S/C28H29FN4O3/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m1/s1 |
| InChIKey | BFDAKIJRIQBPOO-BPHNFWMXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13882 (CHEBI:102535) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13882 | LINCS |