2.0 2012-05-31 13:48:03 -0600 2015-09-13 12:56:10 -0600 ECMDB01232 M2MDB000305 4-Nitrophenol 4-Nitrophenol, also called p-nitrophenol or 4-hydroxynitrobenzene, is a phenolic compound that has a nitro group at the opposite position of hydroxy group on the benzene ring. (Wikipedia) 1-Hydroxy-4-nitrobenzene 4-Hydroxynitrobenzene 4-Nitrophenol <i>p</i>-nitrophenol Mononitrophenol Niphen P-Hydroxynitrobenzene P-Nitrophenol Paranitrophenol PNP C6H5NO3 139.1088 139.026943031 4-nitrophenol P-nitrophenol 100-02-7 OC1=CC=C(C=C1)[N+]([O-])=O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Solid Outer membrane Inner membrane logp 1.93 ALOGPS logs -1.59 ALOGPS solubility 3.60e+00 g/l ALOGPS melting_point 113.8 oC logp 1.61 ChemAxon pka_strongest_acidic 7.07 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-nitrophenol ChemAxon average_mass 139.1088 ChemAxon mono_mass 139.026943031 ChemAxon smiles OC1=CC=C(C=C1)[N+]([O-])=O ChemAxon formula C6H5NO3 ChemAxon inchi InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H ChemAxon inchikey BTJIUGUIPKRLHP-UHFFFAOYSA-N ChemAxon polar_surface_area 63.37 ChemAxon refractivity 34.36 ChemAxon polarizability 12.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon 1,4-Dichlorobenzene degradation ec00627 Microbial metabolism in diverse environments ec01120 Aminobenzoate Degradation Delete This pathway shows the various process by which various compounds reach Benzoate degradation. The top most reaction catalyzes (3s)-3-hydroxyacyl-Coa from crotonoyl-Coa and Water through 2,3-dehydroadipyl-CoA hydratase. The second reaction catalyzes Benzoic Acid from benzoyl phosphate through a weak acylphosphatase. The third reaction is 1,2,4 Benzenetriol which is catalyzed from 4-nitrocatechol through a predicted 2Fe-2s cluster-containing protein. This is a isomer of 4-nitrophenol which is produced from 4-phenylphosphate or 4-nitrophenylphosphate through a phosphoanhydride phosphorylase or alkaline phosphatase respectively The fourth reaction is the production of pyrocatechol from phenol, aniline or Nitrobenzene through a predicted 2Fe-2S cluster-containing protein. The fifth reaction is the production of (3s)-3 hydroxyacyl CoA from acetyl oa and 3-hydroxy-5-oxohexanoic through Acetate CoA-transferase (3s)-3-hydroxyacyl-Coa, Benzoic Acid, pyrocatechol and 1,2,4 Benzenetriol then go into Benzoate degradation. PW000757 Metabolic Specdb::CMs 3080 Specdb::CMs 26794 Specdb::CMs 26795 Specdb::CMs 27370 Specdb::CMs 29039 Specdb::CMs 29570 Specdb::CMs 29772 Specdb::CMs 32200 Specdb::CMs 37986 Specdb::CMs 99668 Specdb::CMs 99669 Specdb::CMs 99670 Specdb::CMs 99671 Specdb::CMs 99672 Specdb::CMs 99673 Specdb::CMs 99674 Specdb::CMs 102533 Specdb::CMs 102534 Specdb::CMs 102535 Specdb::CMs 102536 Specdb::CMs 102537 Specdb::CMs 102538 Specdb::CMs 102539 Specdb::CMs 102540 Specdb::CMs 102541 Specdb::EiMs 98 Specdb::NmrOneD 1666 Specdb::NmrOneD 2060 Specdb::NmrOneD 2749 Specdb::NmrOneD 4838 Specdb::NmrOneD 4839 Specdb::NmrOneD 146870 Specdb::NmrOneD 146871 Specdb::NmrOneD 146872 Specdb::NmrOneD 146873 Specdb::NmrOneD 146874 Specdb::NmrOneD 146875 Specdb::NmrOneD 146876 Specdb::NmrOneD 146877 Specdb::NmrOneD 146878 Specdb::NmrOneD 146879 Specdb::NmrOneD 146880 Specdb::NmrOneD 146881 Specdb::NmrOneD 146882 Specdb::NmrOneD 146883 Specdb::NmrOneD 146884 Specdb::NmrOneD 146885 Specdb::NmrOneD 146886 Specdb::NmrOneD 146887 Specdb::NmrOneD 146888 Specdb::NmrOneD 146889 Specdb::MsMs 1475 Specdb::MsMs 1476 Specdb::MsMs 1477 Specdb::MsMs 5093 Specdb::MsMs 5094 Specdb::MsMs 5095 Specdb::MsMs 5096 Specdb::MsMs 5097 Specdb::MsMs 5098 Specdb::MsMs 5099 Specdb::MsMs 179451 Specdb::MsMs 179452 Specdb::MsMs 179453 Specdb::MsMs 181779 Specdb::MsMs 181780 Specdb::MsMs 181781 Specdb::MsMs 439100 Specdb::MsMs 448056 Specdb::MsMs 2231685 Specdb::MsMs 2232519 Specdb::MsMs 2235797 Specdb::MsMs 2237557 Specdb::MsMs 2237897 Specdb::MsMs 2239701 Specdb::MsMs 2240017 Specdb::NmrTwoD 1607 HMDB01232 980 955 C00870 16836 P-NITROPHENOL NPO 4-Nitrophenol Keseler, I. 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Demande (2004), 35 pp. http://hmdb.ca/system/metabolites/msds/000/001/105/original/HMDB01232.pdf?1358463280 Alkaline phosphatase P00634 PPB_ECOLI phoA http://ecmdb.ca/proteins/P00634.xml Periplasmic AppA protein P07102 PPA_ECOLI appA http://ecmdb.ca/proteins/P07102.xml Class B acid phosphatase P0AE22 APHA_ECOLI aphA http://ecmdb.ca/proteins/P0AE22.xml Nitrophenylphosphate + Water <> 4-Nitrophenol + Phosphate R03024 Water + 4-nitrophenylphosphate > Phosphate + 4-Nitrophenol PW_R002439