CHEBI:31170 - O-acetyltropine

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ChEBI Name O-acetyltropine
ChEBI ID CHEBI:31170
ChEBI ASCII Name O-acetyltropine
Definition An O-acyltropine in which the acyl group is acetyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H17NO2
Net Charge 0
Average Mass 183.24750
Monoisotopic Mass 183.12593
InChI InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+
InChIKey MDIDMOWWLBGYPG-MYJAWHEDSA-N
SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing O-acetyltropine (CHEBI:31170) has role mouse metabolite (CHEBI:75771)
O-acetyltropine (CHEBI:31170) is a O-acyltropine (CHEBI:52656)
IUPAC Name
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate
Synonyms Sources
3-Acetyltropine KEGG COMPOUND
Acetyltropine KEGG COMPOUND
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol acetate (ester) NIST Chemistry WebBook
Manual Xref Database
C00025551 KNApSAcK
View more database links
Registry Numbers Types Sources
3423-27-6 CAS Registry Number ChemIDplus
3423-27-6 CAS Registry Number NIST Chemistry WebBook
Last Modified
27 January 2016