EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122432 - N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide

Default Structure
ChEBI IDCHEBI:122432
ChEBI NameN-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILESO=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccncc1
InChIInChI=1S/C20H27N3O5/c24-13-18-17(23-20(26)15-5-9-27-10-6-15)2-1-16(28-18)11-19(25)22-12-14-3-7-21-8-4-14/h1-4,7-8,15-18,24H,5-6,9-13H2,(H,22,25)(H,23,26)/t16-,17-,18-/m1/s1
InChIKeyZNNAKNJWDLOPKK-KZNAEPCWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide (CHEBI:122432) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-33875LINCS