EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102078 - N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide

ChEBI IDCHEBI:102078
ChEBI NameN-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC22H25F3N4O4
Net Charge0
Average Mass466.460
Monoisotopic Mass466.18279
SMILESO=C(NCC[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19-/m1/s1
InChIKeyJHFKDWZHMFMOKL-CEXWTWQISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide (CHEBI:102078) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-13438LINCS