EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118431 - N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3-oxanyl]cyclopropanecarboxamide

ChEBI IDCHEBI:118431
ChEBI NameN-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3-oxanyl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC18H25N3O4
Net Charge0
Average Mass347.415
Monoisotopic Mass347.18451
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1
InChIInChI=1S/C18H25N3O4/c22-11-16-15(21-18(24)13-1-2-13)4-3-14(25-16)9-17(23)20-10-12-5-7-19-8-6-12/h5-8,13-16,22H,1-4,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16-/m0/s1
InChIKeyJWFDGUDYVUNEGC-XHSDSOJGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3-oxanyl]cyclopropanecarboxamide (CHEBI:118431) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29880LINCS