EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H31N3O4 |
| Net Charge | 0 |
| Average Mass | 473.573 |
| Monoisotopic Mass | 473.23146 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)N(C(=O)C3CC3)[C@H]21 |
| InChI | InChI=1S/C28H31N3O4/c1-2-5-18-10-11-23-24-21(15-30(23)26(18)33)22(16-32)25(31(24)27(34)19-8-9-19)28(35)29-13-12-17-6-3-4-7-20(17)14-29/h2-7,10-11,19,21-22,24-25,32H,8-9,12-16H2,1H3/t21-,22-,24+,25-/m1/s1 |
| InChIKey | KWDFMNKBUPRJCJ-YQIMAOPZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14609 (CHEBI:103265) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14609 | LINCS |