EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118178 - N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide

ChEBI IDCHEBI:118178
ChEBI NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
Stars
DownloadsMolfile
FormulaC23H27N3O6
Net Charge0
Average Mass441.484
Monoisotopic Mass441.18999
SMILESO=C(C[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H27N3O6/c27-13-21-18(26-23(29)9-15-2-1-7-24-11-15)5-4-17(32-21)10-22(28)25-12-16-3-6-19-20(8-16)31-14-30-19/h1-3,6-8,11,17-18,21,27H,4-5,9-10,12-14H2,(H,25,28)(H,26,29)/t17-,18+,21-/m1/s1
InChIKeySPUVHZZOUOXYGN-LVCYWYKZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide (CHEBI:118178) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29627LINCS