EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H43N3O4 |
| Net Charge | 0 |
| Average Mass | 509.691 |
| Monoisotopic Mass | 509.32536 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@H]1CN(C)C(=O)C1CCCCC1 |
| InChI | InChI=1S/C30H43N3O4/c1-21-18-33(22(2)20-34)30(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)37-27(21)19-32(3)29(35)25-12-8-5-9-13-25/h16-17,21-23,25,27,34H,4-13,18-20H2,1-3H3/t21-,22+,27+/m1/s1 |
| InChIKey | YYTHOJUCWCOVJK-VHSZZVNMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:129584) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41135 | LINCS |