EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H36N4O3 |
| Net Charge | 0 |
| Average Mass | 488.632 |
| Monoisotopic Mass | 488.27874 |
| SMILES | CN1CCN(C(=O)[C@@H]2[C@@H](CO)[C@@H]3Cn4c(ccc(C=Cc5ccccc5)c4=O)[C@@H]3N2CC2CC2)CC1 |
| InChI | InChI=1S/C29H36N4O3/c1-30-13-15-31(16-14-30)29(36)27-24(19-34)23-18-32-25(26(23)33(27)17-21-7-8-21)12-11-22(28(32)35)10-9-20-5-3-2-4-6-20/h2-6,9-12,21,23-24,26-27,34H,7-8,13-19H2,1H3/t23-,24-,26+,27-/m0/s1 |
| InChIKey | BARBWXSVHSAMRQ-ATJLQDCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-9820 (CHEBI:98441) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9820 | LINCS |