EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110400 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:110400
ChEBI NameN-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC26H26N4O5
Net Charge0
Average Mass474.517
Monoisotopic Mass474.19032
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1
InChIInChI=1S/C26H26N4O5/c31-15-23-25-21(11-19(34-23)12-24(32)29-13-16-5-8-27-9-6-16)20-10-18(3-4-22(20)35-25)30-26(33)17-2-1-7-28-14-17/h1-10,14,19,21,23,25,31H,11-13,15H2,(H,29,32)(H,30,33)/t19-,21+,23+,25-/m0/s1
InChIKeyZUFBUKYSNNXFMC-VUHNXCBZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:110400) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-21848LINCS