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CHEBI:16656 - tropinone

ChEBI IDCHEBI:16656
ChEBI Nametropinone
Stars
Secondary ChEBI IDsCHEBI:9760, CHEBI:15270, CHEBI:27159, CHEBI:46048
Last Modified3 August 2014
DownloadsMolfile
FormulaC8H13NO
Net Charge0
Average Mass139.198
Monoisotopic Mass139.09971
SMILESCN1[C@@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyQQXLDOJGLXJCSE-KNVOCYPGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tropinone (CHEBI:16656) is a tropane alkaloid (CHEBI:37332)
tropinone (CHEBI:16656) is conjugate base of tropiniumone (CHEBI:57851)
Incoming Relation(s)
tropiniumone (CHEBI:57851) is conjugate acid of tropinone (CHEBI:16656)
IUPAC Name 
tropan-3-one
Synonyms  Source
TropinoneKEGG COMPOUND
3-TropanoneKEGG COMPOUND
8-methyl-8-azabicyclo[3.2.1]octan-3-oneNIST Chemistry WebBook
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-oneIUPAC
3-tropinoneChemIDplus
1αH,5αH-tropan-3-oneNIST Chemistry WebBook
Manual XrefsDatabases
C00783KEGG COMPOUND
TNEPDBeChem
DB01874DrugBank
Registry NumbersSources
Gmelin:1568090Gmelin
Beilstein:1524439Beilstein
Beilstein:4658547Beilstein
CAS:532-24-1KEGG COMPOUND
CAS:532-24-1ChemIDplus
CAS:532-24-1NIST Chemistry WebBook