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CHEBI:90248 - 5-bromo-3-indolyl decanoate

ChEBI IDCHEBI:90248
ChEBI Name5-bromo-3-indolyl decanoate
Stars
DefinitionAn decanoate ester obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of 5-bromoindoxyl.
Last Modified6 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H24BrNO2
Net Charge0
Average Mass366.299
Monoisotopic Mass365.09904
SMILESCCCCCCCCCC(=O)Oc1cnc2ccc(Br)cc12
InChIInChI=1S/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3
InChIKeyMSQDUIOYSURQKS-UHFFFAOYSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
5-bromo-3-indolyl decanoate (CHEBI:90248) has functional parent indoxyl (CHEBI:17840)
5-bromo-3-indolyl decanoate (CHEBI:90248) has role chromogenic compound (CHEBI:75050)
5-bromo-3-indolyl decanoate (CHEBI:90248) is a bromoindole (CHEBI:52514)
5-bromo-3-indolyl decanoate (CHEBI:90248) is a decanoate ester (CHEBI:87658)
IUPAC Name 
5-bromo-1H-indol-3-yl decanoate
Synonyms  Source
5-bromo-3-indolyl caprateChEBI
5-bromoindoxyl decanoateChEBI
Registry NumbersSources
Reaxys:4195226Reaxys