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CHEBI:194576 - 6-bromoconicamin

Default Structure
ChEBI IDCHEBI:194576
ChEBI Name6-bromoconicamin
Stars
DefinitionA bromoindole that is 1H-indole substituted by 2-(trimethylazaniumyl)ethenyl and bromo groups at positions 3 and 6, respectively. It is isolated from the marine sponge Geodia barretti.
Last Modified11 September 2023
Submitterntejera
DownloadsMolfile
FormulaC13H16BrN2
Net Charge+1
Average Mass280.189
Monoisotopic Mass279.04914
SMILESC[N+](C)(C)/C=C/c1cnc2cc(Br)ccc12
InChIInChI=1S/C13H16BrN2/c1-16(2,3)7-6-10-9-15-13-8-11(14)4-5-12(10)13/h4-9,15H,1-3H3/q+1/b7-6+
InChIKeyAWHASJFJHGQPOV-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Geodia barretti (ncbitaxon:519541) - PubMed (35233042)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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)
6-bromoconicamin (CHEBI:194576) has role animal metabolite (CHEBI:75767)
6-bromoconicamin (CHEBI:194576) has role marine metabolite (CHEBI:76507)
6-bromoconicamin (CHEBI:194576) is a bromoindole (CHEBI:52514)
6-bromoconicamin (CHEBI:194576) is a indole alkaloid (CHEBI:38958)
6-bromoconicamin (CHEBI:194576) is a olefinic compound (CHEBI:78840)
6-bromoconicamin (CHEBI:194576) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(E)-2-(6-bromo-1H-indol-3-yl)-N,N,N-trimethylethenaminium
Synonym  Source
(E)-2-(6-bromo-1H-indol-3-yl)-N,N,N-trimethylethen-1-aminiumIUPAC
Citations