EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120196 - 3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide

ChEBI IDCHEBI:120196
ChEBI Name3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide
Stars
DownloadsMolfile
FormulaC18H20FN3O4S
Net Charge0
Average Mass393.440
Monoisotopic Mass393.11586
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)Nc1nccs1
InChIInChI=1S/C18H20FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-3,6-8,13-15,23H,4-5,9-10H2,(H,21,25)(H,20,22,24)/t13-,14+,15+/m0/s1
InChIKeyUAJBNBJNFNTHPJ-RRFJBIMHSA-N
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide (CHEBI:120196) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-31639LINCS