EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:118868 - 3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]benzamide

ChEBI IDCHEBI:118868
ChEBI Name3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]benzamide
Stars
DownloadsMolfile
FormulaC20H27FN4O3
Net Charge0
Average Mass390.459
Monoisotopic Mass390.20672
SMILESCC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1
InChIInChI=1S/C20H27FN4O3/c1-13(2)18-11-25(24-23-18)9-8-16-6-7-17(19(12-26)28-16)22-20(27)14-4-3-5-15(21)10-14/h3-5,10-11,13,16-17,19,26H,6-9,12H2,1-2H3,(H,22,27)/t16-,17-,19+/m1/s1
InChIKeyQKYXERGZTDIPLJ-LMMKCTJWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]benzamide (CHEBI:118868) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-30317LINCS