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:133207 - 1-acetylindole-3-carboxaldehyde
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-acetylindole-3-carboxaldehyde
ChEBI ID
CHEBI:133207
Definition
An
N
-acylindole that is
N
-acetylindole carrying an additional formyl substituent at position 3.
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
C11H9NO2
Net Charge
0
Average Mass
187.195
Monoisotopic Mass
187.06333
InChI
InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKey
LCJLFGSKHBDOAY-UHFFFAOYSA-N
SMILES
CC(=O)N1C=C(C(=O)[H])C=2C=CC=CC12
Metabolite of Species
Details
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
DOI
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-acetylindole-3-carboxaldehyde (
CHEBI:133207
)
has role
plant metabolite (
CHEBI:76924
)
1-acetylindole-3-carboxaldehyde (
CHEBI:133207
)
is a
N
-acylindole (
CHEBI:75884
)
1-acetylindole-3-carboxaldehyde (
CHEBI:133207
)
is a
arenecarbaldehyde (
CHEBI:33855
)
IUPAC Name
1-acetyl-1
H
-indole-3-carbaldehyde
Synonyms
Sources
1-acetyl-3-formylindole
ChEBI
N
-acetylindole-3-carboxaldehyde
ChEBI
Manual Xref
Database
81163
ChemSpider
View more database links
Registry Number
Type
Source
22948-94-3
CAS Registry Number
ChemIDplus
Last Modified
03 February 2017