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C2H4O2 Acetic acid 60.02113 C23H38N7O17P3S Acetyl-CoA 809.1258 1.0 937 ChemSpider C7H6O2 Benzoic acid 122.03678 1.0 64-19-7 CAS SMILES O C6H6O Phenol 94.04186 3505109 PubChem-compound C6H5NO3 4-Nitrophenol 139.02695 P0ABR7 UniProt HMDB01232 HMDB predicted 2Fe-2S cluster-containing protein 1.0 CHEBI:3038 ChEBI 1.0 1.0 102680-35-3 CAS 1.0 1-O6-O-DIGALLOYL-BETA-D-GLUCOSE BioCyc HMDB01206 HMDB 1.0 SMILES NC1=CC=CC=C1 5280381 PubChem-compound 955 ChemSpider CHEBI:17440 ChEBI 4-Nitrophenol 1.0 Benzoic acid C25H40N7O17P3S Crotonoyl-CoA 835.1414 Phenol BiologicalState94 1.0 C6H5NO2 Nitrobenzene 123.03203 O4P Phosphate 94.95342 Acetyl-CoA Acetic acid HMDB41950 HMDB 24-DICHLOROPHENOL BioCyc 34-DICHLOROANILINE BioCyc CHEBI:20052 ChEBI SMILES OC1=CC(O)=C(O)C=C1 SMILES OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O CHEBI:16971 ChEBI CHEBI:15882 ChEBI 65-85-0 CAS SMILES CC(=O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N SMILES CC(=O)CC(O)CC(O)=O 5889 ChemSpider P76082 UniProt CHEBI:44923 ChEBI SMILES OB(O)C1=CC=CC=C1 108-95-2 CAS Alkaline phosphatase 4444072 ChemSpider SMILES [O-]P([O-])([O-])=O SMILES C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 C00009 KEGG Compound HMDB00228 HMDB C00001 KEGG Compound 7138 ChemSpider Pyrocatechol 1.0 CPD-1083 BioCyc CHEBI:18367 ChEBI SMILES O=N(=O)C1=CC=CC=C1 1032 ChemSpider 4-Nitrocatechol 13837760 ChemSpider CATECHOL BioCyc 1.0 HMDB01429 HMDB Aminobenzoate Degradation 1.0 1.0 1.0 238 ChemSpider Acetate CoA-transferase subunit alpha phosphoanhydride phosphorylase weak acylphosphatase Acetate CoA-transferase subunit beta 2,3-dehydroadipyl-CoA hydratase PW000757 PathWhiz 562 TAXONOMY 6115 PubChem-compound C00146 KEGG Compound C00024 KEGG Compound ACET BioCyc 1.0 CHEBI:16836 ChEBI 20144841 PubChem-compound C06813 KEGG Compound C00033 KEGG Compound CPD-8587 BioCyc C6H7N Aniline 93.057846 ReactionCatalysis2379 ACTIVATION Water CHEBI:27798 ChEBI ReactionCatalysis2376 ACTIVATION ReactionCatalysis2375 ACTIVATION P00634 UniProt SMP00780 SMPDB ReactionCatalysis2378 ACTIVATION ReactionCatalysis2377 ACTIVATION CHEBI:15455 ChEBI ReactionCatalysis2381 ACTIVATION ReactionCatalysis2380 ACTIVATION 72-89-9 CAS HMDB01870 HMDB HMDB03012 HMDB C00292 KEGG Compound ReactionCatalysis2383 ACTIVATION ReactionCatalysis2382 ACTIVATION 120-80-9 CAS C6H6O2 Pyrocatechol 110.03678 C02235 KEGG Compound SMILES CC(O)=O C6H5NO4 4-Nitrocatechol 155.02185 7416 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 7732-18-5 CAS CHEBI:18135 ChEBI 98-95-3 CAS Nitrobenzene C00180 KEGG Compound SMILES OC(=O)C1=CC=CC=C1 SMILES OC1=CC=CC=C1 1.0 SMILES OC1=CC=C(C=C1)[N+]([O-])=O Aniline CHEBI:17296 ChEBI phosphoanhydride phosphorylase 2,3-dehydroadipyl-CoA hydratase weak acylphosphatase Acetate CoA-transferase subunit beta Acetate CoA-transferase subunit alpha SMILES OP(O)(=O)OC(=O)C1=CC=CC=C1 SMILES CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 962 PubChem-compound CHEBI:15366 ChEBI C00877 KEGG Compound 289 PubChem-compound CHEBI:37032 ChEBI P07102 UniProt 392413 ChemSpider C00870 KEGG Compound SMILES OC1=CC=C(C=C1O)[N+]([O-])=O SMILES OC1=CC=CC=C1O Crotonoyl-CoA Phosphate 1.0 HMDB02111 HMDB predicted 2Fe-2S cluster-containing protein 971 ChemSpider 100-02-7 CAS 171 ChemSpider CHEBI:15377 ChEBI 4-nitrophenylphosphate 1,2,4-Benzenetriol phenylboronic acid 14265-44-2 CAS (3S)-3-hydroxyacyl-CoA benzoyl phosphate 3-hydroxy-5-oxohexanoic HMDB02009 HMDB 3-Hydroxy-5-oxohexanoyl-CoA 1.0 C00090 KEGG Compound CHEBI:30746 ChEBI 2745027 ChemSpider HMDB02916 HMDB C25H42N7O18P3S (3S)-3-hydroxyacyl-CoA 853.152 C7H7O5P benzoyl phosphate 202.00311 20488062 PubChem-compound C6H10O4 3-hydroxy-5-oxohexanoic 146.0579 C27H44N7O19P3S 3-Hydroxy-5-oxohexanoyl-CoA 895.16254 C6H6NO6P 4-nitrophenylphosphate 218.99327 444493 PubChem-compound CPD-158 BioCyc C6H6O3 1,2,4-Benzenetriol 126.03169 C6H7BO2 phenylboronic acid 122.05391 CHEBI:16318 ChEBI P-NITROPHENOL BioCyc 980 PubChem-compound acetate CoA-transferase 1.14.-.- false 1.14.-.- 4-Nitrocatechol → 1,2,4-Benzenetriol LEFT_TO_RIGHT 1.14.-.- false 1.14.-.- phenylboronic acid → Phenol LEFT_TO_RIGHT ACETYL-COA BioCyc Reaction2440 false 4-nitrophenylphosphate + Water → 4-Nitrophenol + Phosphate LEFT_TO_RIGHT H2O Water 18.010565 3316-09-4 CAS 62-53-3 CAS P0AB65 UniProt 1.14.-.- false 1.14.-.- Aniline → Pyrocatechol LEFT_TO_RIGHT 1.14.-.- false 1.14.-.- Nitrobenzene → Pyrocatechol LEFT_TO_RIGHT 1061 PubChem-compound CHEBI:15351 ChEBI HMDB00042 HMDB CHEBI:15473 ChEBI 176 PubChem-compound Alkaline phosphatase P76458 UniProt 2.8.3.8 false 2.8.3.8 3-hydroxy-5-oxohexanoic + Acetyl-CoA → 3-Hydroxy-5-oxohexanoyl-CoA + Acetic acid LEFT_TO_RIGHT P76459 UniProt 1.0 3.1.3.1 false 3.1.3.1 4-nitrophenylphosphate + Water → 4-Nitrophenol + Phosphate LEFT_TO_RIGHT 3.6.1.7 false 3.6.1.7 Water + benzoyl phosphate → Benzoic acid + Phosphate LEFT_TO_RIGHT HMDB00957 HMDB 4.2.1.17 false 4.2.1.17 Crotonoyl-CoA + Water → (3S)-3-hydroxyacyl-CoA LEFT_TO_RIGHT 2,3- dehydroadipyl- CoA hydratase weak acylphosphatase Acetate CoA-transferase subunit alpha Acetate CoA-transferase subunit beta phosphoanhydride phosphorylase Alkaline phosphatase predicted 2Fe-2S cluster- containing protein predicted 2Fe-2S cluster- containing protein predicted 2Fe-2S cluster- containing protein predicted 2Fe-2S cluster- containing protein Crotonoyl-CoA H 2 O (3S)-3- hydroxyacyl- CoA H 2 O benzoyl phosphate Benzoic acid P i Acetyl-CoA 3-hydroxy-5- oxohexanoic Acetic acid 3-Hydroxy-5- oxohexanoyl- CoA H 2 O 4- nitrophenylphosphate P i 4-Nitrophenol H 2 O 4- nitrophenylphosphate P i 4-Nitrocatechol 1,2,4- Benzenetriol phenylboronic acid Phenol Aniline Nitrobenzene Pyrocatechol (3S)-3- hydroxyacyl- CoA Benzoate degradation Outer Membrane Inner membrane Periplasm Cytoplasm
C2H4O2 Acetic acid 60.02113 C23H38N7O17P3S Acetyl-CoA 809.1258 1.0 937 ChemSpider C7H6O2 Benzoic acid 122.03678 1.0 64-19-7 CAS SMILES O C6H6O Phenol 94.04186 3505109 PubChem-compound C6H5NO3 4-Nitrophenol 139.02695 P0ABR7 UniProt HMDB01232 HMDB predicted 2Fe-2S cluster-containing protein 1.0 CHEBI:3038 ChEBI 1.0 1.0 102680-35-3 CAS 1.0 1-O6-O-DIGALLOYL-BETA-D-GLUCOSE BioCyc HMDB01206 HMDB 1.0 SMILES NC1=CC=CC=C1 5280381 PubChem-compound 955 ChemSpider CHEBI:17440 ChEBI 4-Nitrophenol 1.0 Benzoic acid C25H40N7O17P3S Crotonoyl-CoA 835.1414 Phenol BiologicalState94 Escherichia coli 1.0 C6H5NO2 Nitrobenzene 123.03203 O4P Phosphate 94.95342 Acetyl-CoA Acetic acid HMDB41950 HMDB 24-DICHLOROPHENOL BioCyc 34-DICHLOROANILINE BioCyc CHEBI:20052 ChEBI SMILES OC1=CC(O)=C(O)C=C1 SMILES OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O CHEBI:16971 ChEBI CHEBI:15882 ChEBI 65-85-0 CAS SMILES CC(=O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N SMILES CC(=O)CC(O)CC(O)=O 5889 ChemSpider P76082 UniProt CHEBI:44923 ChEBI SMILES OB(O)C1=CC=CC=C1 108-95-2 CAS Alkaline phosphatase 4444072 ChemSpider SMILES [O-]P([O-])([O-])=O SMILES C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 C00009 KEGG Compound HMDB00228 HMDB C00001 KEGG Compound 7138 ChemSpider Pyrocatechol 1.0 CPD-1083 BioCyc CHEBI:18367 ChEBI SMILES O=N(=O)C1=CC=CC=C1 1032 ChemSpider 4-Nitrocatechol 13837760 ChemSpider CATECHOL BioCyc 1.0 HMDB01429 HMDB Aminobenzoate Degradation 1.0 1.0 1.0 238 ChemSpider Acetate CoA-transferase subunit alpha phosphoanhydride phosphorylase weak acylphosphatase Acetate CoA-transferase subunit beta 2,3-dehydroadipyl-CoA hydratase PW000757 PathWhiz 562 TAXONOMY 6115 PubChem-compound C00146 KEGG Compound C00024 KEGG Compound ACET BioCyc 1.0 CHEBI:16836 ChEBI 20144841 PubChem-compound C06813 KEGG Compound C00033 KEGG Compound CPD-8587 BioCyc C6H7N Aniline 93.057846 ReactionCatalysis2379 ACTIVATION Water CHEBI:27798 ChEBI ReactionCatalysis2376 ACTIVATION ReactionCatalysis2375 ACTIVATION P00634 UniProt http://identifiers.org/smpdb/SMP00780 SMPDB ReactionCatalysis2378 ACTIVATION ReactionCatalysis2377 ACTIVATION CHEBI:15455 ChEBI ReactionCatalysis2381 ACTIVATION ReactionCatalysis2380 ACTIVATION 72-89-9 CAS HMDB01870 HMDB HMDB03012 HMDB C00292 KEGG Compound ReactionCatalysis2383 ACTIVATION ReactionCatalysis2382 ACTIVATION 120-80-9 CAS C6H6O2 Pyrocatechol 110.03678 C02235 KEGG Compound SMILES CC(O)=O C6H5NO4 4-Nitrocatechol 155.02185 7416 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 7732-18-5 CAS CHEBI:18135 ChEBI 98-95-3 CAS Nitrobenzene C00180 KEGG Compound SMILES OC(=O)C1=CC=CC=C1 SMILES OC1=CC=CC=C1 1.0 SMILES OC1=CC=C(C=C1)[N+]([O-])=O Aniline CHEBI:17296 ChEBI phosphoanhydride phosphorylase 2,3-dehydroadipyl-CoA hydratase weak acylphosphatase Acetate CoA-transferase subunit beta Acetate CoA-transferase subunit alpha SMILES OP(O)(=O)OC(=O)C1=CC=CC=C1 SMILES CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 962 PubChem-compound CHEBI:15366 ChEBI C00877 KEGG Compound 289 PubChem-compound CHEBI:37032 ChEBI P07102 UniProt 392413 ChemSpider C00870 KEGG Compound SMILES OC1=CC=C(C=C1O)[N+]([O-])=O SMILES OC1=CC=CC=C1O Crotonoyl-CoA Phosphate 1.0 HMDB02111 HMDB predicted 2Fe-2S cluster-containing protein 971 ChemSpider 100-02-7 CAS 171 ChemSpider CHEBI:15377 ChEBI 4-nitrophenylphosphate 1,2,4-Benzenetriol phenylboronic acid 14265-44-2 CAS (3S)-3-hydroxyacyl-CoA benzoyl phosphate 3-hydroxy-5-oxohexanoic HMDB02009 HMDB 3-Hydroxy-5-oxohexanoyl-CoA 1.0 C00090 KEGG Compound CHEBI:30746 ChEBI 2745027 ChemSpider HMDB02916 HMDB C25H42N7O18P3S (3S)-3-hydroxyacyl-CoA 853.152 C7H7O5P benzoyl phosphate 202.00311 20488062 PubChem-compound C6H10O4 3-hydroxy-5-oxohexanoic 146.0579 C27H44N7O19P3S 3-Hydroxy-5-oxohexanoyl-CoA 895.16254 C6H6NO6P 4-nitrophenylphosphate 218.99327 444493 PubChem-compound CPD-158 BioCyc C6H6O3 1,2,4-Benzenetriol 126.03169 C6H7BO2 phenylboronic acid 122.05391 CHEBI:16318 ChEBI P-NITROPHENOL BioCyc 980 PubChem-compound acetate CoA-transferase 1.14.-.- false 1.14.-.- 4-Nitrocatechol → 1,2,4-Benzenetriol LEFT_TO_RIGHT 1.14.-.- false 1.14.-.- phenylboronic acid → Phenol LEFT_TO_RIGHT ACETYL-COA BioCyc Reaction2440 false 4-nitrophenylphosphate + Water → 4-Nitrophenol + Phosphate LEFT_TO_RIGHT H2O Water 18.010565 3316-09-4 CAS 62-53-3 CAS P0AB65 UniProt 1.14.-.- false 1.14.-.- Aniline → Pyrocatechol LEFT_TO_RIGHT 1.14.-.- false 1.14.-.- Nitrobenzene → Pyrocatechol LEFT_TO_RIGHT 1061 PubChem-compound CHEBI:15351 ChEBI HMDB00042 HMDB CHEBI:15473 ChEBI 176 PubChem-compound Alkaline phosphatase P76458 UniProt 2.8.3.8 false 2.8.3.8 3-hydroxy-5-oxohexanoic + Acetyl-CoA → 3-Hydroxy-5-oxohexanoyl-CoA + Acetic acid LEFT_TO_RIGHT P76459 UniProt 1.0 3.1.3.1 false 3.1.3.1 4-nitrophenylphosphate + Water → 4-Nitrophenol + Phosphate LEFT_TO_RIGHT 3.6.1.7 false 3.6.1.7 Water + benzoyl phosphate → Benzoic acid + Phosphate LEFT_TO_RIGHT HMDB00957 HMDB 4.2.1.17 false 4.2.1.17 Crotonoyl-CoA + Water → (3S)-3-hydroxyacyl-CoA LEFT_TO_RIGHT paaF yccX atoD atoA appA phoA yeaW yeaW yeaW yeaW Crotonoyl-CoA Water (3S)-3- hydroxyacyl- CoA Water benzoyl phosphate Benzoic acid Phosphate Acetyl-CoA 3-hydroxy-5- oxohexanoic Acetic acid 3-Hydroxy-5- oxohexanoyl- CoA Water 4- nitrophenylphosphate Phosphate 4-Nitrophenol Water 4- nitrophenylphosphate Phosphate 4-Nitrocatechol 1,2,4- Benzenetriol phenylboronic acid Phenol Aniline Nitrobenzene Pyrocatechol (3S)-3- hydroxyacyl- CoA