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CHEBI:31170 - O-acetyltropine

ChEBI IDCHEBI:31170
ChEBI NameO-acetyltropine
Stars
ASCII NameO-acetyltropine
DefinitionAn O-acyltropine in which the acyl group is acetyl.
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H17NO2
Net Charge0
Average Mass183.251
Monoisotopic Mass183.12593
SMILESCC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=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+
InChIKeyMDIDMOWWLBGYPG-MYJAWHEDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
3-AcetyltropineKEGG COMPOUND
AcetyltropineKEGG COMPOUND
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol acetate (ester)NIST Chemistry WebBook
Manual XrefsDatabases
C00025551KNApSAcK
Registry NumbersSources
CAS:3423-27-6KEGG COMPOUND
CAS:3423-27-6ChemIDplus
CAS:3423-27-6NIST Chemistry WebBook