EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H36N4O4 |
| Net Charge | 0 |
| Average Mass | 492.620 |
| Monoisotopic Mass | 492.27366 |
| SMILES | CN1[C@H](C(=O)NCCCN2CCOCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@@H]21 |
| InChI | InChI=1S/C28H36N4O4/c1-30-25-22(23(19-33)26(30)27(34)29-12-5-13-31-14-16-36-17-15-31)18-32-24(25)11-10-21(28(32)35)9-8-20-6-3-2-4-7-20/h2-4,6-11,22-23,25-26,33H,5,12-19H2,1H3,(H,29,34)/t22-,23-,25+,26-/m0/s1 |
| InChIKey | LTCABXOBQOXXRS-LJCOXQHRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11913 (CHEBI:100539) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11913 | LINCS |