2.02015-09-08 17:49:56 -06002015-09-08 17:49:56 -0600ECMDB24183M2MDB0063004-nitrophenylphosphate4-Nitrophenylphosphoric acidC6H6NO6P219.0887218.993273441(4-nitrophenoxy)phosphonic acid4-nitrophenyl phosphateOP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=OInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)XZKIHKMTEMTJQX-UHFFFAOYSA-Nlogp0.50logs-2.33solubility1.03e+00 g/llogp0.96pka_strongest_acidic1.77pka_strongest_basic-9.7iupac(4-nitrophenoxy)phosphonic acidaverage_mass219.0887mono_mass218.993273441smilesOP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=OformulaC6H6NO6PinchiInChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)inchikeyXZKIHKMTEMTJQX-UHFFFAOYSA-Npolar_surface_area109.9refractivity45.23polarizability16.61rotatable_bond_count3acceptor_count5donor_count2physiological_charge-2formal_charge0Aminobenzoate 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::CMs2372Specdb::CMs32114Specdb::CMs102427Specdb::CMs157244Specdb::NmrOneD4809Specdb::NmrOneD4810Specdb::NmrOneD334118Specdb::NmrOneD334119Specdb::NmrOneD334120Specdb::NmrOneD334121Specdb::NmrOneD334122Specdb::NmrOneD334123Specdb::NmrOneD334124Specdb::NmrOneD334125Specdb::NmrOneD334126Specdb::NmrOneD334127Specdb::NmrOneD334128Specdb::NmrOneD334129Specdb::NmrOneD334130Specdb::NmrOneD334131Specdb::NmrOneD334132Specdb::NmrOneD334133Specdb::NmrOneD334134Specdb::NmrOneD334135Specdb::NmrOneD334136Specdb::NmrOneD334137Specdb::MsMs24425Specdb::MsMs24426Specdb::MsMs24427Specdb::MsMs30983Specdb::MsMs30984Specdb::MsMs30985Specdb::MsMs438199Specdb::MsMs438200Specdb::MsMs438201Specdb::MsMs438202Specdb::MsMs438203Specdb::MsMs439101Specdb::MsMs439102Specdb::MsMs439190Specdb::MsMs448057Specdb::MsMs2248443Alkaline phosphataseP00634PPB_ECOLIphoAhttp://ecmdb.ca/proteins/P00634.xmlPeriplasmic AppA proteinP07102PPA_ECOLIappAhttp://ecmdb.ca/proteins/P07102.xmlWater + 4-nitrophenylphosphate > Phosphate + 4-NitrophenolPW_R002439