EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122247 - N-[2-[(2S,5R,6S)-5-[[cyclohexyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide

ChEBI IDCHEBI:122247
ChEBI NameN-[2-[(2S,5R,6S)-5-[[cyclohexyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide
Stars
DownloadsMolfile
FormulaC22H31FN2O4
Net Charge0
Average Mass406.498
Monoisotopic Mass406.22679
SMILESO=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O4/c23-17-8-6-16(7-9-17)21(27)24-13-12-18-10-11-19(20(14-26)29-18)25-22(28)15-4-2-1-3-5-15/h6-9,15,18-20,26H,1-5,10-14H2,(H,24,27)(H,25,28)/t18-,19+,20+/m0/s1
InChIKeyUXWKWPDPCRHNPI-XUVXKRRUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2S,5R,6S)-5-[[cyclohexyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide (CHEBI:122247) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-33690LINCS