CHEBI:16656 - tropinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tropinone
ChEBI ID CHEBI:16656
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46048, CHEBI:9760, CHEBI:27159, CHEBI:15270
Supplier Information
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Formula C8H13NO
Net Charge 0
Average Mass 139.19496
Monoisotopic Mass 139.09971
InChI InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChIKey QQXLDOJGLXJCSE-KNVOCYPGSA-N
SMILES CN1[C@H]2CC[C@@H]1CC(=O)C2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tropinone (CHEBI:16656) is a tropane alkaloid (CHEBI:37332)
tropinone (CHEBI:16656) is conjugate base of tropiniumone (CHEBI:57851)
Incoming tropiniumone (CHEBI:57851) is conjugate acid of tropinone (CHEBI:16656)
IUPAC Name
tropan-3-one
Synonyms Sources
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one IUPAC
1αH,5αH-tropan-3-one NIST Chemistry WebBook
3-Tropanone KEGG COMPOUND
3-tropinone ChemIDplus
8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE PDBeChem
8-methyl-8-azabicyclo[3.2.1]octan-3-one NIST Chemistry WebBook
N-methyl-8-azabicyclo[3.2.1]octan-3-one NIST Chemistry WebBook
Tropinon ChemIDplus
Tropinone KEGG COMPOUND
Manual Xrefs Databases
C00783 KEGG COMPOUND
DB01874 DrugBank
TNE PDBeChem
View more database links
Registry Numbers Types Sources
1524439 Beilstein Registry Number Beilstein
1568090 Gmelin Registry Number Gmelin
4658547 Beilstein Registry Number Beilstein
532-24-1 CAS Registry Number ChemIDplus
532-24-1 CAS Registry Number NIST Chemistry WebBook
Last Modified
04 August 2014