CHEBI:95018 - (2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
ChEBI ID CHEBI:95018
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H17NO3
Net Charge 0
Average Mass 199.247
Monoisotopic Mass 199.12084
InChI InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3/t10-/m0/s1
InChIKey BGBNULCRKBVAKL-JTQLQIEISA-N
SMILES COC[C@]1(C(=O)C2CCN1CC2)CO
ChEBI Ontology
Outgoing (2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one (CHEBI:95018) is a cyclic ketone (CHEBI:3992)
(2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one (CHEBI:95018) is a quinuclidines (CHEBI:26518)
Manual Xref Database
LSM-6249 LINCS
View more database links