Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:90248 - 5-bromo-3-indolyl decanoate
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C18H24BrNO2
Net Charge
0
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.
View more via ChEBI Ontology
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-1
H
-indol-3-yl decanoate
Synonyms
Sources
5-bromo-3-indolyl caprate
ChEBI
5-bromoindoxyl decanoate
ChEBI
Registry Number
Type
Source
4195226
Reaxys Registry Number
Reaxys
Last Modified
06 November 2015