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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	5-bromo-3-indolyl decanoate

ChEBI ID	CHEBI:90248

Definition	An decanoate ester obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of 5-bromoindoxyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H24BrNO2

Net Charge

Average Mass

366.293

Monoisotopic Mass

365.09904

InChI

InChI=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

InChIKey

MSQDUIOYSURQKS-UHFFFAOYSA-N

SMILES

N1C=C(C2=C1C=CC(=C2)Br)OC(CCCCCCCCC)=O

Roles Classification
Application(s):	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	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

Registry Number	Type	Source
4195226	Reaxys Registry Number	Reaxys

Last Modified

06 November 2015