EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N5O3 |
| Net Charge | 0 |
| Average Mass | 421.501 |
| Monoisotopic Mass | 421.21139 |
| SMILES | O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3)nn2)O[C@H]1CO |
| InChI | InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22-/m0/s1 |
| InChIKey | HKZRXKNGDCOEMV-VWPQPMDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide (CHEBI:100371) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11746 | LINCS |