EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H30N4O4 |
| Net Charge | 0 |
| Average Mass | 498.583 |
| Monoisotopic Mass | 498.22671 |
| SMILES | CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO |
| InChI | InChI=1S/C29H30N4O4/c1-2-25(35)33-24-15-32-23(8-7-21(29(32)37)17-9-11-30-12-10-17)27(33)26(22(24)16-34)28(36)31-20-13-18-5-3-4-6-19(18)14-20/h3-12,20,22,24,26-27,34H,2,13-16H2,1H3,(H,31,36)/t22-,24-,26+,27+/m1/s1 |
| InChIKey | SUYOEXJQLWDMBI-CIOIWQPASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13327 (CHEBI:101966) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13327 | LINCS |