EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H31N5O3 |
| Net Charge | 0 |
| Average Mass | 497.599 |
| Monoisotopic Mass | 497.24269 |
| SMILES | O=C(NCc1ccccn1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1N2Cc1cccnc1 |
| InChI | InChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m0/s1 |
| InChIKey | DPJGOJUVSBIVRD-ALLMYJPZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-9383 (CHEBI:98004) is a pyrrolidinecarboxamide (CHEBI:46770) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9383 | LINCS |