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Inhibitor Report for: M4-4NHP

M4-4NHP	Type	Organophosphate
		pNP
	Other_Name	Methyl 4-nitrophenyl hexylphosphonate
		MNPHP
		CTK0J3644
		BIM6001
	Chemical_Nomenclature	1-[hexyl(methoxy)phosphoryl]oxy-4-nitrobenzene
	Formula	C13H20NO5P
	CAS_number	259827-72-0
	MW	301.27
	Paper	Rotticci_2000_Biochim.Biophys.Acta_1483_132
		Alonso_2020_Nat.Catal_3_319
		Chen_2007_Langmuir_23_1381
	Structure	6RB0
	Comment	Inhibition by Methyl 4-nitrophenyl hexylphosphonate 6RB0 gives the same adduct (methyl hydrogen (R)-hexylphosphonate) on the active serine as 4-methylumbelliferyl-hexylphosphonate 3ICW
	Gene_locus	9bact-LAE6
	CID	54274387
	Family	Hormone-sensitive_lipase_like
	InChIKey	RMJQAOXPKANPMM-UHFFFAOYSA-N
	CanonicalSMILES	CCCCCCP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
	InChI	InChI=1S/C13H20NO5P/c1-3-4-5-6-11-20(17,18-2)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3