EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98678 - N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide

ChEBI IDCHEBI:98678
ChEBI NameN-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
Stars
DownloadsMolfile
FormulaC24H30N4O5S
Net Charge0
Average Mass486.594
Monoisotopic Mass486.19369
SMILESCOc1cccc(-c2cn(CC[C@H]3CC[C@@H](NS(=O)(=O)Cc4ccccc4)[C@@H](CO)O3)nn2)c1
InChIInChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22-,24-/m1/s1
InChIKeyLQIYJTVMCFCXBS-KIFXHHALSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide (CHEBI:98678) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-10057LINCS