N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930)

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ChEBI Name	N-(p-nitrophenylphosphobutanoyl)glycine

ChEBI ID	CHEBI:44930

ChEBI ASCII Name	N-(p-nitrophenylphosphobutanoyl)glycine

Definition	A C-nitro compound that is the N-(p-nitrophenylphosphobutyryl) derivative of glycine; a cognate transition state analogue of the esterase-like catalytic antibody D2.3.

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

Supplier Information

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Formula

C12H15N2O8P

Net Charge

Average Mass

346.22990

Monoisotopic Mass

346.05660

InChI

InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)

InChIKey

WLNKGRQBMNPVSJ-UHFFFAOYSA-N

SMILES

OC(=O)CNC(=O)CCCP(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	N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) has role epitope (CHEBI:53000) N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a C-nitro compound (CHEBI:35716) N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a N-acylglycine (CHEBI:16180) N-(p-nitrophenylphosphobutanoyl)glycine (CHEBI:44930) is a phosphonic ester (CHEBI:37735)

IUPAC Name

N-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}glycine

Synonyms	Sources
4-nitrophenylphosphobutanoyl-glycine	ChEBI
N-[4-(4-nitrophenylphospho)butanoyl]glycine	ChEBI

Citation	Type	Source
9826512	PubMed citation	Europe PMC

Last Modified

12 March 2018