isatin (CHEBI:27539)

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ChEBI Name	isatin

ChEBI ID	CHEBI:27539

Definition	An indoledione that is the 2,3-diketo derivative of indole.

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

Secondary ChEBI IDs	CHEBI:43625, CHEBI:5978, CHEBI:24879

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Formula

C8H5NO2

Net Charge

Average Mass

147.13080

Monoisotopic Mass

147.03203

InChI

InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)

InChIKey

JXDYKVIHCLTXOP-UHFFFAOYSA-N

SMILES

O=C1Nc2ccccc2C1=O

Roles Classification
Biological Role(s):	EC 1.4.3.4 (monoamine oxidase) inhibitor An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4). 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	isatin (CHEBI:27539) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623) isatin (CHEBI:27539) has role plant metabolite (CHEBI:76924) isatin (CHEBI:27539) is a indoledione (CHEBI:24793)

Incoming	1-methyl-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1H-indole-2,3-dione (CHEBI:44274) has functional parent isatin (CHEBI:27539) 5-(6-aminohexanamido)isatin (CHEBI:59639) has functional parent isatin (CHEBI:27539) 5-aminoisatin (CHEBI:59593) has functional parent isatin (CHEBI:27539) 6-(3'-methylbuten-2-yl)isatin (CHEBI:141376) has functional parent isatin (CHEBI:27539) N-acetylisatin (CHEBI:16050) has functional parent isatin (CHEBI:27539)

IUPAC Name

1H-indole-2,3-dione

Last Modified

22 June 2016