EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H30N4O |
| Net Charge | 0 |
| Average Mass | 414.553 |
| Monoisotopic Mass | 414.24196 |
| SMILES | OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 |
| InChI | InChI=1S/C26H30N4O/c31-19-25-26(21-10-8-20(9-11-21)22-6-5-12-27-16-22)24-18-29(14-3-4-15-30(24)25)17-23-7-1-2-13-28-23/h1-2,5-13,16,24-26,31H,3-4,14-15,17-19H2/t24-,25-,26+/m1/s1 |
| InChIKey | ZLAMFFFFACPEQP-CYXNTTPDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(8S,9S,10S)-6-(2-pyridinylmethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129740) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41291 | LINCS |