indole-5,6-quinone-2-carboxylic acid (CHEBI:81394)

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ChEBI Name	indole-5,6-quinone-2-carboxylic acid

ChEBI ID	CHEBI:81394

Definition	An indoledione that is 1H-indole-5,6-dione substituted by a carboxy group at position 2.

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

Supplier Information

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Formula

C9H5NO4

Net Charge

Average Mass

191.142

Monoisotopic Mass

191.02186

InChI

InChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14)

InChIKey

FXURFKFOPCZEKG-UHFFFAOYSA-N

SMILES

OC(=O)C1=CC2=CC(=O)C(=O)C=C2N1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) has functional parent 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) has role human metabolite (CHEBI:77746) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a dioxo monocarboxylic acid (CHEBI:35951) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a indolecarboxylic acid (CHEBI:38610) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a indoledione (CHEBI:24793) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is a orthoquinones (CHEBI:25622) indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is conjugate acid of indole-5,6-quinone-2-carboxylate (CHEBI:177869)

Incoming	indole-5,6-quinone-2-carboxylate (CHEBI:177869) is conjugate base of indole-5,6-quinone-2-carboxylic acid (CHEBI:81394)

IUPAC Name

5,6-dioxo-5,6-dihydro-1H-indole-2-carboxylic acid

Synonyms	Sources
5,6-bis(oxidanylidene)-1H-indole-2-carboxylic acid	ChEBI
5,6-diketo-1H-indole-2-carboxylic acid	ChEBI
5,6-dioxo-1H-indole-2-carboxylic acid	ChEBI
5,6-indolequinone-2-carboxylic acid	ChEBI

Registry Number	Type	Source
161940-76-7	CAS Registry Number	ChEBI

Last Modified

19 August 2021