p-nitrophenylphosphocholine (CHEBI:55394)

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ChEBI Name	p-nitrophenylphosphocholine

ChEBI ID	CHEBI:55394

ChEBI ASCII Name	p-nitrophenylphosphocholine

Definition	A phosphocholine that is the 4-nitrophenyl ester of choline phosphate.

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

Secondary ChEBI IDs	CHEBI:44449, CHEBI:59133

Supplier Information

Download	Molfile XML SDF

Formula

C11H18N2O6P

Net Charge

Average Mass

305.24420

Monoisotopic Mass

305.08970

InChI

InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1

InChIKey

NAIXASFEPQPICN-UHFFFAOYSA-O

SMILES

C[N+](C)(C)CCOP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O

Roles Classification
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. 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	p-nitrophenylphosphocholine (CHEBI:55394) has role epitope (CHEBI:53000) p-nitrophenylphosphocholine (CHEBI:55394) has role hapten (CHEBI:59174) p-nitrophenylphosphocholine (CHEBI:55394) is a phosphocholines (CHEBI:36700)

IUPAC Names

2-{[hydroxy(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

4-nitrophenyl 2-(trimethylammonio)ethyl phosphate

Synonyms	Sources
4-nitrophenylphosphorylcholine	ChEBI
nitrophenylphosphocholine	ChEBI
nitrophenylphosphorylcholine	ChEBI
NPCC	ChEBI
NPPC	ChEBI
O-(4-nitrophenylphosphoryl)choline	ChEBI
p-nitrophenyl phosphorylcholine	ChEBI
P-NITROPHENYL-PHOSPHOCHOLINE	PDBeChem
p-nitrophenylphosphorylcholine	ChEBI
phosphocholine 4-nitrophenyl ester	ChEBI

Last Modified

11 January 2017