EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28N4O3 |
| Net Charge | 0 |
| Average Mass | 444.535 |
| Monoisotopic Mass | 444.21614 |
| SMILES | C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1C)c1ccccc1 |
| InChI | InChI=1S/C26H28N4O3/c1-16(17-6-4-3-5-7-17)28-25(32)24-21(15-31)20-14-30-22(23(20)29(24)2)9-8-19(26(30)33)18-10-12-27-13-11-18/h3-13,16,20-21,23-24,31H,14-15H2,1-2H3,(H,28,32)/t16-,20-,21-,23+,24-/m0/s1 |
| InChIKey | XRCXBUPUCMDVHO-ZOAOAULPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:98283) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9662 | LINCS |