4-nitrocatechol (CHEBI:16318)

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ChEBI Name	4-nitrocatechol

ChEBI ID	CHEBI:16318

Definition	A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.

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

Secondary ChEBI IDs	CHEBI:40103, CHEBI:1912, CHEBI:12033, CHEBI:20456

Supplier Information

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Formulae

C6H5NO4
C6H5NO4

Net Charge

Average Mass

155.108

Monoisotopic Mass

155.02186

InChI

InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H

InChIKey

XJNPNXSISMKQEX-UHFFFAOYSA-N

SMILES

C1(=CC=C(C=C1O)[N+]([O-])=O)O

Roles Classification
Biological Role(s):	lipoxygenase inhibitor A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	4-nitrocatechol (CHEBI:16318) has role human xenobiotic metabolite (CHEBI:76967) 4-nitrocatechol (CHEBI:16318) has role lipoxygenase inhibitor (CHEBI:35856) 4-nitrocatechol (CHEBI:16318) is a C-nitro compound (CHEBI:35716) 4-nitrocatechol (CHEBI:16318) is a catechols (CHEBI:33566) 4-nitrocatechol (CHEBI:16318) is conjugate acid of 2-hydroxy-4-nitrophenolate (CHEBI:57730)

Incoming	2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) has functional parent 4-nitrocatechol (CHEBI:16318) 2-hydroxy-4-nitrophenolate (CHEBI:57730) is conjugate base of 4-nitrocatechol (CHEBI:16318)

IUPAC Name

4-nitrobenzene-1,2-diol

Last Modified

21 October 2015