2.02012-05-31 13:48:03 -06002015-09-13 12:56:10 -0600ECMDB01232M2MDB0003054-Nitrophenol4-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-nitrobenzene4-Hydroxynitrobenzene4-Nitrophenol<i>p</i>-nitrophenolMononitrophenolNiphenP-HydroxynitrobenzeneP-NitrophenolParanitrophenolPNPC6H5NO3139.1088139.0269430314-nitrophenolP-nitrophenol100-02-7OC1=CC=C(C=C1)[N+]([O-])=OInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8HBTJIUGUIPKRLHP-UHFFFAOYSA-NSolidOuter membraneInner membranelogp1.93logs-1.59solubility3.60e+00 g/lmelting_point113.8 oClogp1.61pka_strongest_acidic7.07pka_strongest_basic-7.1iupac4-nitrophenolaverage_mass139.1088mono_mass139.026943031smilesOC1=CC=C(C=C1)[N+]([O-])=OformulaC6H5NO3inchiInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8HinchikeyBTJIUGUIPKRLHP-UHFFFAOYSA-Npolar_surface_area63.37refractivity34.36polarizability12.22rotatable_bond_count1acceptor_count3donor_count1physiological_charge0formal_charge01,4-Dichlorobenzene degradationec00627Microbial metabolism in diverse environmentsec01120Aminobenzoate DegradationDelete
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. PW000757MetabolicSpecdb::CMs3080Specdb::CMs26794Specdb::CMs26795Specdb::CMs27370Specdb::CMs29039Specdb::CMs29570Specdb::CMs29772Specdb::CMs32200Specdb::CMs37986Specdb::CMs99668Specdb::CMs99669Specdb::CMs99670Specdb::CMs99671Specdb::CMs99672Specdb::CMs99673Specdb::CMs99674Specdb::CMs102533Specdb::CMs102534Specdb::CMs102535Specdb::CMs102536Specdb::CMs102537Specdb::CMs102538Specdb::CMs102539Specdb::CMs102540Specdb::CMs102541Specdb::EiMs98Specdb::NmrOneD1666Specdb::NmrOneD2060Specdb::NmrOneD2749Specdb::NmrOneD4838Specdb::NmrOneD4839Specdb::NmrOneD146870Specdb::NmrOneD146871Specdb::NmrOneD146872Specdb::NmrOneD146873Specdb::NmrOneD146874Specdb::NmrOneD146875Specdb::NmrOneD146876Specdb::NmrOneD146877Specdb::NmrOneD146878Specdb::NmrOneD146879Specdb::NmrOneD146880Specdb::NmrOneD146881Specdb::NmrOneD146882Specdb::NmrOneD146883Specdb::NmrOneD146884Specdb::NmrOneD146885Specdb::NmrOneD146886Specdb::NmrOneD146887Specdb::NmrOneD146888Specdb::NmrOneD146889Specdb::MsMs1475Specdb::MsMs1476Specdb::MsMs1477Specdb::MsMs5093Specdb::MsMs5094Specdb::MsMs5095Specdb::MsMs5096Specdb::MsMs5097Specdb::MsMs5098Specdb::MsMs5099Specdb::MsMs179451Specdb::MsMs179452Specdb::MsMs179453Specdb::MsMs181779Specdb::MsMs181780Specdb::MsMs181781Specdb::MsMs439100Specdb::MsMs448056Specdb::MsMs2231685Specdb::MsMs2232519Specdb::MsMs2235797Specdb::MsMs2237557Specdb::MsMs2237897Specdb::MsMs2239701Specdb::MsMs2240017Specdb::NmrTwoD1607HMDB01232980955C0087016836P-NITROPHENOLNPO4-NitrophenolKeseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590.21097882Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114.22080510Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." 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Demande (2004), 35 pp. http://hmdb.ca/system/metabolites/msds/000/001/105/original/HMDB01232.pdf?1358463280Alkaline phosphataseP00634PPB_ECOLIphoAhttp://ecmdb.ca/proteins/P00634.xmlPeriplasmic AppA proteinP07102PPA_ECOLIappAhttp://ecmdb.ca/proteins/P07102.xmlClass B acid phosphataseP0AE22APHA_ECOLIaphAhttp://ecmdb.ca/proteins/P0AE22.xmlNitrophenylphosphate + Water <> 4-Nitrophenol + PhosphateR03024Water + 4-nitrophenylphosphate > Phosphate + 4-NitrophenolPW_R002439