CHEBI:94995 - 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one
ChEBI ID CHEBI:94995
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H15NO3
Net Charge 0
Average Mass 185.221
Monoisotopic Mass 185.10519
InChI InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2
InChIKey RFBVBRVVOPAAFS-UHFFFAOYSA-N
SMILES C1CN2CCC1C(=O)C2(CO)CO
ChEBI Ontology
Outgoing 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one (CHEBI:94995) is a cyclic ketone (CHEBI:3992)
2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one (CHEBI:94995) is a quinuclidines (CHEBI:26518)
Manual Xref Database
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