EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120146 - 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide

Default Structure
ChEBI IDCHEBI:120146
ChEBI Name2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
Stars
DownloadsMolfile
FormulaC22H26N4O4
Net Charge0
Average Mass410.474
Monoisotopic Mass410.19541
SMILESO=C(C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1
InChIInChI=1S/C22H26N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-7,9-11,18-20,27H,8,12-15H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1
InChIKeyOPJMBNVAUHUOES-UFYCRDLUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:120146) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-31589LINCS