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CHEBI:194576 - 6-bromoconicamin

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:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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