4NP

4-NITROPHENYL PHOSPHATE

Created:	1999-09-21
Last modified:	2011-06-04

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8 entries where 4NP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-NITROPHENYL PHOSPHATE
Systematic Name (OpenEye OEToolkits)	(4-nitrophenyl) dihydrogen phosphate
Formula	C₆ H₆ N O₆ P
Molecular Weight	219.089
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
InChI	InChI	1.03	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	InChI	1.03	XZKIHKMTEMTJQX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04214
Name	4-Nitrophenyl Phosphate
Groups	experimental
Synonyms	4-Nitrophenyl Phosphate
Categories	Benzene Derivatives Chromogenic Compounds Coloring Agents Compounds used in a research, industrial, or household setting Indicators and Reagents Laboratory Chemicals Nitro Compounds Phenols
CAS number	330-13-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Low molecular weight phosphotyrosine protein phosphatase	MAEQATKSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGY...	unknown
Dual specificity protein phosphatase 23	MGVQPPNFSWVLPGRLAGLALPRLPAHYQFLLDLGVRHLVSLTERGPPHS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682