EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118095 - N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide

ChEBI IDCHEBI:118095
ChEBI NameN-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
Stars
DownloadsMolfile
FormulaC17H27N3O5S
Net Charge0
Average Mass385.486
Monoisotopic Mass385.16714
SMILESCCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1
InChIInChI=1S/C17H27N3O5S/c1-2-26(23,24)19-10-8-14-6-7-15(16(12-21)25-14)20-17(22)11-13-5-3-4-9-18-13/h3-5,9,14-16,19,21H,2,6-8,10-12H2,1H3,(H,20,22)/t14-,15+,16-/m1/s1
InChIKeyATYYOVKYGVPSBZ-OWCLPIDISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide (CHEBI:118095) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29544LINCS