(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097)

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ChEBI Name	(4-hydroxy-3,5-dinitrophenyl)acetic acid

ChEBI ID	CHEBI:194097

Definition	A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by nitro, hydroxy and nitro groups at positions 3, 4 and 5 respectively.

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

Supplier Information

Download	Molfile XML SDF

Formula

C8H6N2O7

Net Charge

Average Mass

242.143

Monoisotopic Mass

242.01750

InChI

InChI=1S/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12)

InChIKey

MLVYQQLUGFSXQH-UHFFFAOYSA-N

SMILES

OC(=O)CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O

Metabolite of Species	Details
Salegentibacter sp. T436 (NCBI:txid1729720)	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):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role bacterial metabolite (CHEBI:76969) (4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role hapten (CHEBI:59174) (4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role marine metabolite (CHEBI:76507) (4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) is a dinitrophenol (CHEBI:39352) (4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) is a phenylacetic acids (CHEBI:25978)

IUPAC Name

(4-hydroxy-3,5-dinitrophenyl)acetic acid

Synonyms	Sources
2-(4-hydroxy-3,5-dinitrophenyl)acetic acid	ChEBI
3,5-dinitro-4-hydroxyphenacetic acid	ChEBI
3,5-dinitro-4-hydroxyphenylacetic acid	ChEBI
4-hydroxy-3,5-dinitrobenzeneacetic acid	ChemIDplus
4-hydroxy-3,5-dinitrophenylacetic acid	ChEBI

Registry Number	Type	Source
10463-37-3	CAS Registry Number	ChemIDplus

Last Modified

10 November 2022