EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:101079 - (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
| Formula | C24H23FN2O2 |
| Net Charge | 0 |
| Average Mass | 390.458 |
| Monoisotopic Mass | 390.17436 |
| SMILES | N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1 |
| InChI | InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23+/m1/s1 |
| InChIKey | BSEGMNXKWUIHHS-VJBWXMMDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a azetidines (CHEBI:38777) |
| (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a benzenes (CHEBI:22712) |
| (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12451 | LINCS |