1-acetylindole-3-carboxaldehyde (CHEBI:133207)

ChEBI > Main

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

Formula

C11H9NO2

Net Charge

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.

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-1H-indole-3-carbaldehyde

Synonyms	Sources
1-acetyl-3-formylindole	ChEBI
N-acetylindole-3-carboxaldehyde	ChEBI

Registry Number	Type	Source
22948-94-3	CAS Registry Number	ChemIDplus

Last Modified

03 February 2017