EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:123138 - N-[2-[(2R,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
| Formula | C22H32FN3O4 |
| Net Charge | 0 |
| Average Mass | 421.513 |
| Monoisotopic Mass | 421.23768 |
| SMILES | O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO |
| InChI | InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19-,20+/m1/s1 |
| InChIKey | ABKGFAHRWOKBSI-AHRSYUTCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2R,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide (CHEBI:123138) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34580 | LINCS |