EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H38N4O5 |
| Net Charge | 0 |
| Average Mass | 522.646 |
| Monoisotopic Mass | 522.28422 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C=Cc3ccccc3)cnc2O[C@H]1CN(C)C(=O)CN1CCOCC1 |
| InChI | InChI=1S/C29H38N4O5/c1-21-17-33(22(2)20-34)29(36)25-15-24(10-9-23-7-5-4-6-8-23)16-30-28(25)38-26(21)18-31(3)27(35)19-32-11-13-37-14-12-32/h4-10,15-16,21-22,26,34H,11-14,17-20H2,1-3H3/t21-,22-,26+/m1/s1 |
| InChIKey | IBJZSIVAOQZUGO-DRLORSAXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-25373 (CHEBI:113941) has functional parent α-amino acid (CHEBI:33704) |
| LSM-25373 (CHEBI:113941) is a organonitrogen compound (CHEBI:35352) |
| LSM-25373 (CHEBI:113941) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25373 | LINCS |