4-nitrophenyl phosphate (CHEBI:17440)

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ChEBI Name	4-nitrophenyl phosphate

ChEBI ID	CHEBI:17440

Definition	An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.

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

Secondary ChEBI IDs	CHEBI:12035, CHEBI:20458, CHEBI:40049, CHEBI:1915

Supplier Information	ChemicalBook:CB2142160, ChemicalBook:CB8443186, eMolecules:1984979, ZINC000001529638

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Formulae

C6H6NO6P
C6H6NO6P

Net Charge

Average Mass

219.08870

Monoisotopic Mass

218.99327

InChI

InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)

InChIKey

XZKIHKMTEMTJQX-UHFFFAOYSA-N

SMILES

OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	4-nitrophenyl phosphate (CHEBI:17440) has functional parent 4-nitrophenol (CHEBI:16836) 4-nitrophenyl phosphate (CHEBI:17440) has role mouse metabolite (CHEBI:75771) 4-nitrophenyl phosphate (CHEBI:17440) is a aryl phosphate (CHEBI:36943) 4-nitrophenyl phosphate (CHEBI:17440) is conjugate acid of 4-nitrophenyl phosphate(2−) (CHEBI:61146)

Incoming	4-nitrophenyl phosphate(2−) (CHEBI:61146) is conjugate base of 4-nitrophenyl phosphate (CHEBI:17440)

IUPAC Name

4-nitrophenyl dihydrogen phosphate

Synonyms	Sources
4-Nitrophenyl phosphate	KEGG COMPOUND
4-NITROPHENYL PHOSPHATE	PDBeChem
nitrophenylphosphate	ChemIDplus
p-nitrophenyl dihydrogen phosphate	ChemIDplus
p-nitrophenyl phosphate	ChEBI
phosphoric acid, mono(4-nitrophenyl) ester	ChemIDplus
phosphoric acid, mono(p-nitrophenyl) ester	ChemIDplus

Citation

Last Modified

27 January 2016