4-nitrophenyl (4-carboxybutyl)phosphonate (CHEBI:44480)

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ChEBI Name	4-nitrophenyl (4-carboxybutyl)phosphonate

ChEBI ID	CHEBI:44480

Definition	An organophosphonate oxoanion that is a nitrophenyl phosphonate hapten and transition-state analogue derived from pentanoic acid, with affinity for the germline precursor to catalytic antibody 48G7.

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

Supplier Information

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Formula

C11H13NO7P

Net Charge

-1

Average Mass

302.19720

Monoisotopic Mass

302.04351

InChI

InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)/p-1

InChIKey

XVVZSEXTAACTPS-UHFFFAOYSA-M

SMILES

OC(=O)CCCCP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O

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):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	4-nitrophenyl (4-carboxybutyl)phosphonate (CHEBI:44480) has role epitope (CHEBI:53000) 4-nitrophenyl (4-carboxybutyl)phosphonate (CHEBI:44480) is a C-nitro compound (CHEBI:35716) 4-nitrophenyl (4-carboxybutyl)phosphonate (CHEBI:44480) is a monocarboxylic acid (CHEBI:25384) 4-nitrophenyl (4-carboxybutyl)phosphonate (CHEBI:44480) is a organophosphonate oxoanion (CHEBI:59635)

IUPAC Name

4-nitrophenyl (4-carboxybutyl)phosphonate

Synonyms	Sources
(5-hydroxy-5-oxo-pentyl)-(4-nitrophenoxy)phosphinate	PDB
5-(p-nitrophenylphosphonate)pentanoic acid	ChEBI
5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID	PDBeChem

Registry Number	Type	Source
6000961	Reaxys Registry Number	Reaxys

Last Modified

25 January 2017