EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49968 - (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol

Default Structure
ChEBI IDCHEBI:49968
ChEBI Name(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol
Stars
DownloadsMolfile
FormulaC15H21NO4
Net Charge0
Average Mass279.336
Monoisotopic Mass279.14706
SMILES[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])C([H])([H])[C@]1(O[H])[C@]([H])(O[H])[C@]2([H])O[H]
InChIInChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1
InChIKeyXOLGFLJPIWWVBX-KJWHEZOQSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol (CHEBI:49968) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triolPDBeChem
(1R,4S,5R,6R,8R)-2-benzyl-8-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,5,6-triolPDBeChem
Manual XrefsDatabases
VBZPDBeChem