EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120144 - 4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzamide

ChEBI IDCHEBI:120144
ChEBI Name4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzamide
Stars
DownloadsMolfile
FormulaC22H24FN5O3
Net Charge0
Average Mass425.464
Monoisotopic Mass425.18632
SMILESO=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccc(F)cc1
InChIInChI=1S/C22H24FN5O3/c23-16-6-4-15(5-7-16)22(30)25-19-9-8-17(31-21(19)14-29)10-12-28-13-20(26-27-28)18-3-1-2-11-24-18/h1-7,11,13,17,19,21,29H,8-10,12,14H2,(H,25,30)/t17-,19+,21+/m0/s1
InChIKeyJEWVOUSHTDFCPR-FBBABVLZSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzamide (CHEBI:120144) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-31587LINCS