• N-Isopropylaniline (compID# c0655)
  • N-Isopropylacetanilide -----> N-Isopropylaniline + Acetate (reacID# r0913)
  • N-Isopropylaniline -----> Catechol (reacID# r0721)
• 4,4',6,6'-Tetranitro-2,2'-azoxytoluene (compID# c0460)
  • 2-Hydroxylamino-4,6-dinitrotoluene -----> 4,4',6,6'-Tetranitro-2,2'-azoxytoluene (reacID# r0475)
• Atrazine (compID# c0002)
  • Atrazine -----> Hydroxyatrazine (reacID# r0113)
  • Atrazine -----> Deisopropylatrazine (reacID# r0118)
  • Atrazine -----> Deethylatrazine (reacID# r0127)
• 2,4',6,6'-Tetranitro-4,2'-azoxytoluene (compID# c0461)
  • 2-Hydroxylamino-4,6-dinitrotoluene + 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,4',6,6'-Tetranitro-4,2'-azoxytoluene (reacID# r0470)
• Isopropylamine (compID# c0656)
  • Isopropylamine -----> Acetaldehyde + Methane (reacID# r0726)
• 2,6-Diamino-4-nitrotoluene (compID# c0462)
  • 2-Amino-4,6-dinitrotoluene -----> 2,6-Diamino-4-nitrotoluene (reacID# r0473)
• Acetanilide (compID# c0657)
  • N-Isopropylacetanilide -----> Acetanilide + Acetone (reacID# r0914)
  • Acetanilide -----> Catechol (reacID# r0723)
• 2-Hydroxylamino-4,6-dinitrotoluene (compID# c0463)
  • 2,4,6-Trinitrotoluene -----> 2-Hydroxylamino-4,6-dinitrotoluene (reacID# r0469)
  • 2-Hydroxylamino-4,6-dinitrotoluene + 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,4',6,6'-Tetranitro-4,2'-azoxytoluene (reacID# r0470)
  • 2-Hydroxylamino-4,6-dinitrotoluene -----> 2-Amino-4,6-dinitrotoluene (reacID# r0471)
  • 2-Hydroxylamino-4,6-dinitrotoluene -----> 4,4',6,6'-Tetranitro-2,2'-azoxytoluene (reacID# r0475)
• Acetamide (compID# c0658)
  • Acetonitrile -----> Acetamide (reacID# r1315)
  • Acetamide -----> Acetate (reacID# r1440)
• 2-Amino-4-nitrotoluene (compID# c0464)
  • 2-Amino-4,6-dinitrotoluene -----> 2-Amino-4-nitrotoluene (reacID# r0472)
  • 2,4-Dinitrotoluene -----> 2-Amino-4-nitrotoluene (reacID# r1543)
  • 2-Amino-4-nitrotoluene -----> 2,4-Diaminotoluene (reacID# r1546)
• 2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetyl-CoA (compID# c0411)
  • 2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetate -----> 2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetyl-CoA (reacID# r0429)
  • 2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetyl-CoA -----> delta^2,5-3,4,4-Trimethylpimelyl-CoA (reacID# r0430)
• 2-Chloro-N-isopropylacetamide (compID# c0659)
  • 2-Chloro-N-isopropylacetanilide -----> 2-Chloro-N-isopropylacetamide + Catechol (reacID# r0724)
  • 2-Chloro-N-isopropylacetamide -----> Carbon Dioxide (reacID# r0725)
• Benzylsuccinyl-CoA (compID# c0341)
  • Benzylsuccinate -----> Benzylsuccinyl-CoA (reacID# r0329)
  • Benzylsuccinyl-CoA -----> E-Phenylitaconyl-CoA (reacID# r0330)
• Diethanolamine (compID# c0589)
  • Triethanolamine -----> Diethanolamine + Acetaldehyde (reacID# r0659)
  • Diethanolamine -----> Ethanolamine + Acetaldehyde (reacID# r0660)
• S-Formylglutathione (compID# c0270)
  • S-Hydroxymethylglutathione -----> S-Formylglutathione (reacID# r1146)
  • S-Formylglutathione -----> Formate (reacID# r0241)
• delta^2,5-3,4,4-Trimethylpimelyl-CoA (compID# c0412)
  • 2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetyl-CoA -----> delta^2,5-3,4,4-Trimethylpimelyl-CoA (reacID# r0430)
  • delta^2,5-3,4,4-Trimethylpimelyl-CoA -----> Carbon Dioxide (reacID# r0431)
• E-Phenylitaconyl-CoA (compID# c0342)
  • Benzylsuccinyl-CoA -----> E-Phenylitaconyl-CoA (reacID# r0330)
  • E-Phenylitaconyl-CoA -----> (Hydroxymethylphenyl)succinyl-CoA (reacID# r0331)
• TNT Hydride Meisenheimer complex (compID# c0466)
• L-Threonine (compID# c0413)
  • L-Threonine -----> 2-Oxobutanoate (reacID# r0433)
• (Hydroxymethylphenyl)succinyl-CoA (compID# c0343)
  • E-Phenylitaconyl-CoA -----> (Hydroxymethylphenyl)succinyl-CoA (reacID# r0331)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
• TNT Dihydride Meisenheimer complex (compID# c0467)
• trans-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (compID# c0750)
  • cis-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate -----> trans-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (reacID# r0818)
  • trans-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate -----> Fumarylpyruvate (reacID# r0810)
• Succinyl-CoA (compID# c0344)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
  • 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
  • Naphthyl-2-oxomethyl-succinyl-CoA -----> Succinyl-CoA + 2-Naphthoyl-CoA (reacID# r1261)
• (RS)-Nicotine (compID# c0468)
  • (RS)-Nicotine -----> (R)-6-Hydroxynicotine (reacID# r0978)
  • (RS)-Nicotine -----> (S)-6-Hydroxynicotine (reacID# r0979)
• 3-Hydroxypimelyl-CoA (compID# c0220)
  • 2,3-Didehydro-pimeloyl-CoA -----> 3-Hydroxypimelyl-CoA (reacID# r0195)
  • 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA -----> 3-Hydroxypimelyl-CoA (reacID# r0206)
  • 3-Hydroxypimelyl-CoA -----> 3-Ketopimelyl-CoA (reacID# r0196)
• 2-Aminobenzoate (compID# c0345)
  • 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2E,4Z-dienoate -----> 2-Aminobenzoate + cis-2-Hydroxypenta-2,4-dienoate (reacID# r0458)
  • o-Hydroxylaminobenzoate -----> 2-Aminobenzoate (reacID# r0850)
  • N-Acetylanthranilate -----> 2-Aminobenzoate (reacID# r1474)
  • 2-Aminobenzoate -----> 2-Aminobenzoyl-CoA (reacID# r0341)
  • 2-Aminobenzoate -----> Catechol (reacID# r0577)
  • 2-Aminobenzoate -----> 2,3-Dihydroxybenzoate (reacID# r0578)
• 2,6-Dihydroxypseudooxynicotine (compID# c0469)
  • 6-Hydroxypseudooxynicotine -----> 2,6-Dihydroxypseudooxynicotine (reacID# r0480)
  • 2,6-Dihydroxypseudooxynicotine -----> 2,6-Dihydroxy-N-methylmysosmine (reacID# r0481)
  • 2,6-Dihydroxypseudooxynicotine -----> 2,6-Dihydroxypyridine + 4-Methylaminobutyrate (reacID# r0482)
• Acrylyl-CoA (compID# c0150)
  • Acrylate -----> Acrylyl-CoA (reacID# r0085)
  • Acrylyl-CoA -----> Lactoyl-CoA (reacID# r0086)
• 3-Ketopimelyl-CoA (compID# c0221)
  • 3-Hydroxypimelyl-CoA -----> 3-Ketopimelyl-CoA (reacID# r0196)
  • 3-Ketopimelyl-CoA -----> Glutaryl-CoA + Acetyl-CoA (reacID# r0197)
• Lactoyl-CoA (compID# c0151)
  • Acrylyl-CoA -----> Lactoyl-CoA (reacID# r0086)
  • Lactoyl-CoA -----> L-Lactate (reacID# r0087)
• Glutaryl-CoA (compID# c0222)
  • 3-Ketopimelyl-CoA -----> Glutaryl-CoA + Acetyl-CoA (reacID# r0197)
  • Glutaryl-CoA -----> Glutaconyl-CoA (reacID# r0198)
• 2-Aminobenzoyl-CoA (compID# c0346)
  • 2-Aminobenzoate -----> 2-Aminobenzoyl-CoA (reacID# r0341)
  • 2-Aminobenzoyl-CoA -----> Benzoyl-CoA (reacID# r0342)
  • 2-Aminobenzoyl-CoA -----> 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA (reacID# r0568)
• (3S)-3-Hydroxybutyryl-CoA (compID# c0030)
  • 3-Hydroxy-5-oxohexanoyl-CoA -----> (3S)-3-Hydroxybutyryl-CoA (reacID# r0010)
  • Crotonoyl-CoA -----> (3S)-3-Hydroxybutyryl-CoA (reacID# r0200)
  • (3S)-3-Hydroxybutyryl-CoA -----> Crotonoyl-CoA (reacID# r0011)
  • (3S)-3-Hydroxybutyryl-CoA -----> Acetoacetyl-CoA (reacID# r0202)
• Thiocyanate (compID# c0560)
  • Thiocyanate -----> Carbonyl sulfide (reacID# r0598)
  • Thiocyanate -----> Cyanate + Sulfide (reacID# r0606)
• N5,N10-Methenyltetrahydromethanopterin (compID# c0349)
  • N5-Formyl-5,6,7,8-tetrahydromethanopterin -----> N5,N10-Methenyltetrahydromethanopterin (reacID# r0347)
  • N5,N10-Methenyltetrahydromethanopterin -----> N5,N10-Methylenetetrahydromethanopterin (reacID# r0348)
  • N5,N10-Methenyltetrahydromethanopterin -----> N5,N10-Methylenetetrahydromethanopterin (reacID# r0353)
• Acetyl-CoA (compID# c0031)
  • 3-Ketopimelyl-CoA -----> Glutaryl-CoA + Acetyl-CoA (reacID# r0197)
  • Acetoacetyl-CoA -----> Acetyl-CoA (reacID# r0201)
  • Benzoyl acetyl-CoA -----> Acetyl-CoA + Benzoyl-CoA (reacID# r0243)
  • Ethylene Oxide + Coenzyme A -----> Acetyl-CoA (reacID# r0595)
  • 4-Methyl-3-oxooctanoyl-CoA -----> 2-Methylhexanoyl-CoA + Acetyl-CoA (reacID# r0927)
  • 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
• Parathion (compID# c0084)
  • Parathion -----> Diethylthiophosphoric acid + p-Nitrophenol (reacID# r0064)
  • Parathion -----> Paraoxon (reacID# r0066)
  • Parathion -----> Aminoparathion (reacID# r0068)
• 6-Amino-1,2-dihydroxynaphthalene (compID# c0757)
  • 6-Amino-2-naphthalenesulfonic acid -----> 6-Amino-1,2-dihydroxynaphthalene (reacID# r0812)
  • 6-Amino-1,2-dihydroxynaphthalene -----> 6-Amino-2-hydroxychromene-2-carboxylate (reacID# r0814)
• 3-Isopropenylpimelyl-CoA (compID# c0686)
  • 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA -----> 3-Isopropenylpimelyl-CoA (reacID# r1004)
• Crotonoyl-CoA (compID# c0032)
  • (3S)-3-Hydroxybutyryl-CoA -----> Crotonoyl-CoA (reacID# r0011)
  • Glutaconyl-CoA -----> Crotonoyl-CoA (reacID# r0199)
  • Cyclopropanecarboxyl-CoA -----> Crotonoyl-CoA (reacID# r1057)
  • Crotonoyl-CoA -----> Butyryl-CoA (reacID# r0013)
  • Crotonoyl-CoA -----> (3S)-3-Hydroxybutyryl-CoA (reacID# r0200)
• Triethanolamine (compID# c0491)
  • Triethanolamine -----> Diethanolamine + Acetaldehyde (reacID# r0659)
• Glutaconyl-CoA (compID# c0227)
  • Glutaryl-CoA -----> Glutaconyl-CoA (reacID# r0198)
  • Glutaconyl-CoA -----> Crotonoyl-CoA (reacID# r0199)
• 6-Amino-2-hydroxychromene-2-carboxylate (compID# c0758)
  • 6-Amino-1,2-dihydroxynaphthalene -----> 6-Amino-2-hydroxychromene-2-carboxylate (reacID# r0814)
  • 6-Amino-2-hydroxychromene-2-carboxylate -----> (3E)-4-(5-Amino-2-hydroxy-phenyl)-2-oxo-but-3-ene-1-oic-acid (reacID# r0815)
• p-Nitrophenol (compID# c0086)
  • Parathion -----> Diethylthiophosphoric acid + p-Nitrophenol (reacID# r0064)
  • Paraoxon -----> p-Nitrophenol + Diethylphosphoric acid (reacID# r0067)
  • p-Nitrophenol -----> p-Benzoquinone (reacID# r0226)
  • p-Nitrophenol -----> 4-Nitrocatechol (reacID# r0230)
• (3E)-4-(5-Amino-2-hydroxy-phenyl)-2-oxo-but-3-ene-1-oic-acid (compID# c0759)
  • 6-Amino-2-hydroxychromene-2-carboxylate -----> (3E)-4-(5-Amino-2-hydroxy-phenyl)-2-oxo-but-3-ene-1-oic-acid (reacID# r0815)
  • (3E)-4-(5-Amino-2-hydroxy-phenyl)-2-oxo-but-3-ene-1-oic-acid -----> Pyruvate + 5-Aminosalicylaldehyde (reacID# r0816)
• Iprodione (compID# c0635)
  • Iprodione -----> 3,5-Dichlorophenylcarboximide + N-Isopropylcarbamate (reacID# r0706)
• 4-Hydroxylamino-2,6-dinitrotoluene (compID# c0440)
  • 2,4,6-Trinitrotoluene -----> 4-Hydroxylamino-2,6-dinitrotoluene (reacID# r0465)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,4-Dihydroxylamino-6-nitrotoluene (reacID# r0466)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,2',6,6'-Tetranitro-4,4'-azoxytoluene (reacID# r0468)
  • 2-Hydroxylamino-4,6-dinitrotoluene + 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,4',6,6'-Tetranitro-4,2'-azoxytoluene (reacID# r0470)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 4-Amino-2,6-dinitrotoluene (reacID# r0500)
• Acetoacetyl-CoA (compID# c0229)
  • (3S)-3-Hydroxybutyryl-CoA -----> Acetoacetyl-CoA (reacID# r0202)
  • Acetoacetyl-CoA -----> Acetyl-CoA (reacID# r0201)
• Cyclohexylsulfamate (compID# c0689)
  • Cyclohexylsulfamate -----> Cyclohexylamine (reacID# r0755)
• 3,5-Dichloroaniline (compID# c0636)
  • (3,5-Dichlorophenylurea)acetate -----> 3,5-Dichloroaniline + N-Carboxyglycine (reacID# r0708)
• Paraoxon (compID# c0088)
  • Parathion -----> Paraoxon (reacID# r0066)
  • Paraoxon -----> p-Nitrophenol + Diethylphosphoric acid (reacID# r0067)
• 2,4-Dihydroxylamino-6-nitrotoluene (compID# c0441)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,4-Dihydroxylamino-6-nitrotoluene (reacID# r0466)
  • 2,4-Dihydroxylamino-6-nitrotoluene -----> 4-Amino-2-hydroxylamino-6-nitrotoluene (reacID# r0467)
  • 2,4-Dihydroxylamino-6-nitrotoluene -----> 2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene (reacID# r0628)
• 3,5-Dichlorophenylcarboximide (compID# c0637)
  • Iprodione -----> 3,5-Dichlorophenylcarboximide + N-Isopropylcarbamate (reacID# r0706)
  • 3,5-Dichlorophenylcarboximide -----> (3,5-Dichlorophenylurea)acetate (reacID# r0707)
• Aminoparathion (compID# c0089)
  • Parathion -----> Aminoparathion (reacID# r0068)
  • Aminoparathion -----> Diethylthiophosphoric acid + p-Aminophenol (reacID# r0069)
• 4-Amino-2-hydroxylamino-6-nitrotoluene (compID# c0442)
  • 4-Amino-2,6-dinitrotoluene -----> 4-Amino-2-hydroxylamino-6-nitrotoluene (reacID# r0463)
  • 2,4-Dihydroxylamino-6-nitrotoluene -----> 4-Amino-2-hydroxylamino-6-nitrotoluene (reacID# r0467)
  • 4-Amino-2-hydroxylamino-6-nitrotoluene -----> 4-Amino-2-nitroso-6-nitrotoluene (reacID# r0464)
• (3,5-Dichlorophenylurea)acetate (compID# c0638)
  • 3,5-Dichlorophenylcarboximide -----> (3,5-Dichlorophenylurea)acetate (reacID# r0707)
  • (3,5-Dichlorophenylurea)acetate -----> 3,5-Dichloroaniline + N-Carboxyglycine (reacID# r0708)
• 4-Amino-2-nitroso-6-nitrotoluene (compID# c0443)
  • 4-Amino-2-hydroxylamino-6-nitrotoluene -----> 4-Amino-2-nitroso-6-nitrotoluene (reacID# r0464)
• Lauroyl-CoA (compID# c0567)
  • Lauric acid -----> Lauroyl-CoA (reacID# r0604)
• Hexahydro-1,3,5-trinitro-1,3,5-triazine (compID# c0639)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (reacID# r0834)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> Methylenedinitramine + bis(Hydroxymethyl)nitramine (reacID# r0868)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (reacID# r0870)
• Carbazole (compID# c0444)
  • Carbazole -----> 2'-Aminobiphenyl-2,3-diol (reacID# r0456)
• Cyanate (compID# c0568)
  • Thiocyanate -----> Cyanate + Sulfide (reacID# r0606)
  • Cyanate -----> Carbon Dioxide (reacID# r0608)
• 2'-Aminobiphenyl-2,3-diol (compID# c0445)
  • Carbazole -----> 2'-Aminobiphenyl-2,3-diol (reacID# r0456)
  • 2'-Aminobiphenyl-2,3-diol -----> 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2E,4Z-dienoate (reacID# r0457)
• 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2E,4Z-dienoate (compID# c0446)
  • 2'-Aminobiphenyl-2,3-diol -----> 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2E,4Z-dienoate (reacID# r0457)
  • 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2E,4Z-dienoate -----> 2-Aminobenzoate + cis-2-Hydroxypenta-2,4-dienoate (reacID# r0458)
• Propazine (compID# c0253)
• 4-Methyloct-2-enoyl-CoA (compID# c0834)
  • 4-Methyloctanoyl-CoA -----> 4-Methyloct-2-enoyl-CoA (reacID# r0924)
  • 4-Methyloct-2-enoyl-CoA -----> 3-Hydroxy-4-methyloctanoyl-CoA (reacID# r0925)
• Simazine (compID# c0254)
• 5-Aminosalicylate (compID# c0732)
  • Mordant Yellow 3 -----> 5-Aminosalicylate + 6-Amino-2-naphthalenesulfonic acid (reacID# r0808)
  • 5-Aminosalicylaldehyde -----> 5-Aminosalicylate (reacID# r0817)
  • 5-Aminosalicylate -----> cis-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (reacID# r0809)
• N-Isopropylcarbamate (compID# c0661)
  • Iprodione -----> 3,5-Dichlorophenylcarboximide + N-Isopropylcarbamate (reacID# r0706)
• Prometryn (compID# c0255)
• 6-Amino-2-naphthalenesulfonic acid (compID# c0733)
  • Mordant Yellow 3 -----> 5-Aminosalicylate + 6-Amino-2-naphthalenesulfonic acid (reacID# r0808)
  • 6-Amino-2-naphthalenesulfonic acid -----> 6-Amino-1,2-dihydroxynaphthalene (reacID# r0812)
• Nitroglycerin (NG) (compID# c0061)
  • Nitroglycerin (NG) -----> 1,2-Dinitroglycerol (reacID# r0039)
  • Nitroglycerin (NG) -----> 1,3-Dinitroglycerol (reacID# r0040)
• Terbutryn (compID# c0256)
• 1,2-Dinitroglycerol (compID# c0062)
  • Nitroglycerin (NG) -----> 1,2-Dinitroglycerol (reacID# r0039)
  • 1,2-Dinitroglycerol -----> 2-Mononitroglycerol (reacID# r0917)
  • 1,2-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0918)
• Cyromazine (compID# c0257)
  • Cyromazine -----> N-Cyclopropylammeline (reacID# r0825)
• 1,3-Dinitroglycerol (compID# c0063)
  • Nitroglycerin (NG) -----> 1,3-Dinitroglycerol (reacID# r0040)
  • 1,3-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0042)
• Glyphosate (compID# c0134)
  • Glyphosate -----> Sarcosine (reacID# r0072)
  • Glyphosate -----> Aminomethylphosphonic acid (AMPA) + Glyoxylate (reacID# r0073)
• Melamine (compID# c0258)
• 2-Mononitroglycerol (compID# c0064)
  • 1,2-Dinitroglycerol -----> 2-Mononitroglycerol (reacID# r0917)
  • 2-Mononitroglycerol -----> Glycerol (reacID# r0043)
• Sarcosine (compID# c0135)
  • Glyphosate -----> Sarcosine (reacID# r0072)
• (R)-6-Hydroxynicotine (compID# c0470)
  • (RS)-Nicotine -----> (R)-6-Hydroxynicotine (reacID# r0978)
  • (R)-6-Hydroxynicotine -----> 6-Hydroxypseudooxynicotine (reacID# r0478)
• Simatone (compID# c0259)
• Ethanolamine (compID# c0594)
  • Diethanolamine -----> Ethanolamine + Acetaldehyde (reacID# r0660)
• Isoproturon (compID# c0810)
  • Isoproturon -----> Formaldehyde + Monodemethylisoproturon (reacID# r0892)
• 1-Mononitroglycerol (compID# c0065)
  • 1,3-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0042)
  • 1,2-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0918)
  • 1-Mononitroglycerol -----> Glycerol (reacID# r0044)
• 2,4-Dichlorobenzoyl-CoA (compID# c0189)
  • 2,4-Dichlorobenzoate -----> 2,4-Dichlorobenzoyl-CoA (reacID# r0137)
  • 2,4-Dichlorobenzoyl-CoA -----> 4-Chlorobenzoyl-CoA (reacID# r0138)
• Aminomethylphosphonic acid (AMPA) (compID# c0136)
  • Glyphosate -----> Aminomethylphosphonic acid (AMPA) + Glyoxylate (reacID# r0073)
  • Aminomethylphosphonic acid (AMPA) -----> Methylamine (reacID# r0074)
• (S)-6-Hydroxynicotine (compID# c0471)
  • (RS)-Nicotine -----> (S)-6-Hydroxynicotine (reacID# r0979)
  • (S)-6-Hydroxynicotine -----> 6-Hydroxypseudooxynicotine (reacID# r0477)
• Methylamine (compID# c0137)
  • Aminomethylphosphonic acid (AMPA) -----> Methylamine (reacID# r0074)
  • Dimethylamine -----> Methylamine + Formaldehyde (reacID# r1380)
  • Carbaryl -----> Methylamine + 1-Naphthol (reacID# r1475)
  • Carbofuran -----> Methylamine + Carbofuran-7-phenol (reacID# r1477)
  • 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate -----> Methylamine + 3-(2-Hydroxy-2-methylpropyl)benzene-1,2-diol (reacID# r1542)
  • Methylamine -----> Formaldehyde (reacID# r0075)
• 6-Hydroxypseudooxynicotine (compID# c0472)
  • (S)-6-Hydroxynicotine -----> 6-Hydroxypseudooxynicotine (reacID# r0477)
  • (R)-6-Hydroxynicotine -----> 6-Hydroxypseudooxynicotine (reacID# r0478)
  • 6-Hydroxypseudooxynicotine -----> 2,6-Dihydroxypseudooxynicotine (reacID# r0480)
  • 6-Hydroxypseudooxynicotine -----> 6-Hydroxy-3-succinoylpyridine (reacID# r1441)
• 2,6-Dihydroxypyridine (compID# c0473)
  • 2,6-Dihydroxypseudooxynicotine -----> 2,6-Dihydroxypyridine + 4-Methylaminobutyrate (reacID# r0482)
  • 2,6-Dihydroxypyridine -----> 2,3,6-Trihydroxypyridine (reacID# r0479)
• Cyanamide (compID# c0597)
  • Cyanamide -----> Urea (reacID# r0668)
• N5,N10-Methylenetetrahydromethanopterin (compID# c0350)
  • N5,N10-Methenyltetrahydromethanopterin -----> N5,N10-Methylenetetrahydromethanopterin (reacID# r0348)
  • N5,N10-Methenyltetrahydromethanopterin -----> N5,N10-Methylenetetrahydromethanopterin (reacID# r0353)
  • N5,N10-Methylenetetrahydromethanopterin -----> 5-Methyl-5,6,7,8-tetrahydromethanopterin (reacID# r0354)
• 4-Methylaminobutyrate (compID# c0474)
  • 2,6-Dihydroxypseudooxynicotine -----> 2,6-Dihydroxypyridine + 4-Methylaminobutyrate (reacID# r0482)
  • 4-Methylaminobutyrate -----> Carbon Dioxide (reacID# r0503)
• 5-Methyl-5,6,7,8-tetrahydromethanopterin (compID# c0351)
  • N5,N10-Methylenetetrahydromethanopterin -----> 5-Methyl-5,6,7,8-tetrahydromethanopterin (reacID# r0354)
  • 5-Methyl-5,6,7,8-tetrahydromethanopterin -----> Methyl-coenzyme M (reacID# r0355)
• 2,3,6-Trihydroxypyridine (compID# c0475)
  • 2,6-Dihydroxypyridine -----> 2,3,6-Trihydroxypyridine (reacID# r0479)
  • 2,3,6-Trihydroxyisonicotinate -----> 2,3,6-Trihydroxypyridine (reacID# r1340)
  • 2,3,6-Trihydroxypyridine -----> Maleamate (reacID# r0483)
• 1-Aminocyclopropane-1-carboxylate (compID# c0352)
  • 1-Aminocyclopropane-1-carboxylate -----> 2-Oxobutanoate (reacID# r0357)
• Maleamate (compID# c0476)
  • 2,3,6-Trihydroxypyridine -----> Maleamate (reacID# r0483)
  • Citrazinate -----> Maleamate (reacID# r1342)
  • 2,5-Dihydroxypyridine -----> Maleamate (reacID# r1443)
• 4-Carboxy-4'-sulfoazobenzene (compID# c0548)
  • 4-Carboxy-4'-sulfoazobenzene -----> 4-Aminobenzoate + 4-Aminobenzenesulfonate (reacID# r0543)
• 2,6-Dihydroxy-N-methylmysosmine (compID# c0477)
  • 2,6-Dihydroxypseudooxynicotine -----> 2,6-Dihydroxy-N-methylmysosmine (reacID# r0481)
• 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA (compID# c0549)
  • 2-Aminobenzoyl-CoA -----> 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA (reacID# r0568)
  • 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA -----> Carbon Dioxide + 1,4-Cyclohexanedione + Coenzyme A (reacID# r0584)
• 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA (compID# c0230)
  • Cyclohex-1,5-diene-1-carboxyl-CoA -----> 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA (reacID# r0203)
  • 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA -----> 2,6-Dihydroxycyclohexane-1-carboxyl-CoA (reacID# r0204)
• 2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene (compID# c0478)
  • 2,4-Dihydroxylamino-6-nitrotoluene -----> 2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene (reacID# r0628)
• N-Cyclopropylammeline (compID# c0761)
  • Cyromazine -----> N-Cyclopropylammeline (reacID# r0825)
  • N-Cyclopropylammeline -----> N-Cyclopropylammelide (reacID# r0826)
• Cyclohexylamine (compID# c0690)
  • Cyclohexylsulfamate -----> Cyclohexylamine (reacID# r0755)
  • N-Cyclohexylformamide -----> Formate + Cyclohexylamine (reacID# r1030)
  • Cyclohexylamine -----> Cyclohexanone (reacID# r0754)
• 2,6-Dihydroxycyclohexane-1-carboxyl-CoA (compID# c0231)
  • 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA -----> 2,6-Dihydroxycyclohexane-1-carboxyl-CoA (reacID# r0204)
  • 2,6-Dihydroxycyclohexane-1-carboxyl-CoA -----> 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA (reacID# r0205)
• N-Cyclopropylammelide (compID# c0762)
  • N-Cyclopropylammeline -----> N-Cyclopropylammelide (reacID# r0826)
  • N-Cyclopropylammelide -----> Cyanuric acid + Cyclopropylamine (reacID# r0827)
• p-Aminophenol (compID# c0090)
  • Aminoparathion -----> Diethylthiophosphoric acid + p-Aminophenol (reacID# r0069)
  • 4-Aminobenzoate -----> p-Aminophenol (reacID# r0597)
  • p-Aminophenol -----> p-Benzoquinone (reacID# r0070)
• 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA (compID# c0232)
  • 2,6-Dihydroxycyclohexane-1-carboxyl-CoA -----> 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA (reacID# r0205)
  • 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA -----> 3-Hydroxypimelyl-CoA (reacID# r0206)
• Hydroxyatrazine (compID# c0161)
  • Atrazine -----> Hydroxyatrazine (reacID# r0113)
  • Hydroxyatrazine -----> N-Isopropylammelide + Ethyl amine (reacID# r0114)
• N-Isopropylammelide (compID# c0162)
  • Hydroxyatrazine -----> N-Isopropylammelide + Ethyl amine (reacID# r0114)
  • N-Isopropylammelide -----> Cyanuric acid (reacID# r0115)
• L-Tyrosine (compID# c0234)
  • L-Tyrosine -----> 4-Hydroxyphenylpyruvate (reacID# r0297)
• Cyanuric acid (compID# c0163)
  • N-Isopropylammelide -----> Cyanuric acid (reacID# r0115)
  • 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine -----> Cyanuric acid + Ethyl amine (reacID# r0122)
  • N-Cyclopropylammelide -----> Cyanuric acid + Cyclopropylamine (reacID# r0827)
  • 2,4-Dihydroxy-6-amino-1,3,5-triazine -----> Cyanuric acid (reacID# r1415)
  • Cyanuric acid -----> Biuret (reacID# r0116)
• Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (compID# c0640)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (reacID# r0834)
  • Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine -----> Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine (reacID# r0835)
• 2,4-Dichloroaniline (compID# c0765)
  • 2,4-Dichloroaniline -----> 4-Chloroaniline (reacID# r0819)
• Biuret (compID# c0164)
  • Cyanuric acid -----> Biuret (reacID# r0116)
  • Biuret -----> Allophanate (reacID# r0846)
• Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine (compID# c0641)
  • Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine -----> Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine (reacID# r0835)
  • Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine -----> Hexahydro-1,3,5-trinitroso-1,3,5-triazine (reacID# r0836)
• 4-Chloroaniline (compID# c0766)
  • 2,4-Dichloroaniline -----> 4-Chloroaniline (reacID# r0819)
  • 4-Chloroaniline -----> 4-Chlorocatechol (reacID# r0820)
• Methionine (compID# c0094)
  • Methionine -----> Methanethiol + 2-Oxobutanoate (reacID# r0432)
• Urea (compID# c0165)
  • Cyanamide -----> Urea (reacID# r0668)
  • Urea -----> Carbon Dioxide (reacID# r0120)
• Hexahydro-1,3,5-trinitroso-1,3,5-triazine (compID# c0642)
  • Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine -----> Hexahydro-1,3,5-trinitroso-1,3,5-triazine (reacID# r0836)
  • Hexahydro-1,3,5-trinitroso-1,3,5-triazine -----> Carbon Dioxide + Nitrous Oxide (reacID# r0878)
• Deisopropylatrazine (compID# c0166)
  • Atrazine -----> Deisopropylatrazine (reacID# r0118)
  • Deisopropylatrazine -----> Deisopropylhydroxyatrazine (reacID# r0119)
• Methylenedinitramine (compID# c0643)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> Methylenedinitramine + bis(Hydroxymethyl)nitramine (reacID# r0868)
  • Methylenedinitramine -----> Hydroxymethylnitramine (reacID# r0869)
• Deisopropylhydroxyatrazine (compID# c0167)
  • Deisopropylatrazine -----> Deisopropylhydroxyatrazine (reacID# r0119)
  • Deisopropylhydroxyatrazine -----> 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine (reacID# r0121)
• bis(Hydroxymethyl)nitramine (compID# c0644)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> Methylenedinitramine + bis(Hydroxymethyl)nitramine (reacID# r0868)
  • bis(Hydroxymethyl)nitramine -----> Nitramine + Formaldehyde (reacID# r1035)
• 3-Oxoadipyl-CoA (compID# c0931)
  • 3-Oxoadipate -----> 3-Oxoadipyl-CoA (reacID# r1050)
  • (3S)-3-Hydroxyadipyl-CoA -----> 3-Oxoadipyl-CoA (reacID# r1063)
  • 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
• 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine (compID# c0168)
  • Deisopropylhydroxyatrazine -----> 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine (reacID# r0121)
  • 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine -----> Cyanuric acid + Ethyl amine (reacID# r0122)
• Hydroxymethylnitramine (compID# c0645)
  • Methylenedinitramine -----> Hydroxymethylnitramine (reacID# r0869)
  • Hydroxymethylnitramine -----> Nitramine + Formaldehyde (reacID# r1036)
• Deethylatrazine (compID# c0169)
  • Atrazine -----> Deethylatrazine (reacID# r0127)
  • Deethylatrazine -----> Deisopropyldeethylatrazine (reacID# r0128)
• Z-Phenylacetaldoxime (compID# c0646)
  • Z-Phenylacetaldoxime -----> Phenylacetonitrile (reacID# r0697)
• Phenylacetonitrile (compID# c0647)
  • Z-Phenylacetaldoxime -----> Phenylacetonitrile (reacID# r0697)
  • Phenylacetonitrile -----> Phenylacetamide (reacID# r0698)
  • Phenylacetonitrile -----> Phenylacetate (reacID# r0701)
• Phenylacetamide (compID# c0648)
  • Phenylacetonitrile -----> Phenylacetamide (reacID# r0698)
  • Phenylacetamide -----> Phenylacetate (reacID# r0700)
• Octanoyl-CoA (compID# c0048)
  • Octanoate -----> Octanoyl-CoA (reacID# r0024)
• Nitramine (compID# c0649)
  • bis(Hydroxymethyl)nitramine -----> Nitramine + Formaldehyde (reacID# r1035)
  • Hydroxymethylnitramine -----> Nitramine + Formaldehyde (reacID# r1036)
  • Nitramine -----> Nitrous Oxide (reacID# r1037)
• Benzoyl-CoA (compID# c0119)
  • 4-Hydroxybenzoyl-CoA -----> Benzoyl-CoA (reacID# r0158)
  • Benzoate -----> Benzoyl-CoA (reacID# r0189)
  • Benzoyl acetyl-CoA -----> Acetyl-CoA + Benzoyl-CoA (reacID# r0243)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
  • 2-Aminobenzoyl-CoA -----> Benzoyl-CoA (reacID# r0342)
  • Benzoyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0190)
• Ametryn (compID# c0260)
• 4-Amino-2,6-dinitrotoluene (compID# c0455)
  • 2,4,6-Trinitrotoluene -----> 4-Amino-2,6-dinitrotoluene (reacID# r0460)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 4-Amino-2,6-dinitrotoluene (reacID# r0500)
  • 4-Amino-2,6-dinitrotoluene -----> 2,4-Diamino-6-nitrotoluene (reacID# r0461)
  • 4-Amino-2,6-dinitrotoluene -----> 4-Amino-2-hydroxylamino-6-nitrotoluene (reacID# r0463)
• 4-Chlorobenzoyl-CoA (compID# c0190)
  • 2,4-Dichlorobenzoyl-CoA -----> 4-Chlorobenzoyl-CoA (reacID# r0138)
  • 4-Chlorobenzoate -----> 4-Chlorobenzoyl-CoA (reacID# r0139)
  • 4-Chlorobenzoyl-CoA -----> 4-Hydroxybenzoyl-CoA (reacID# r0140)
• 2,4-Diamino-6-nitrotoluene (compID# c0456)
  • 4-Amino-2,6-dinitrotoluene -----> 2,4-Diamino-6-nitrotoluene (reacID# r0461)
  • 2-Amino-4,6-dinitrotoluene -----> 2,4-Diamino-6-nitrotoluene (reacID# r0474)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4-Diamino-6-hydroxylaminotoluene (reacID# r0624)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4-Diamino-6-hydroxylaminotoluene (reacID# r0625)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4,6-Triaminotoluene (reacID# r0629)
• 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (compID# c0793)
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (reacID# r0870)
  • 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine -----> 1-Nitro-1,2-dihydro-1,3,5-triazine (reacID# r0871)
• 2,2',6,6'-Tetranitro-4,4'-azoxytoluene (compID# c0458)
  • 4-Hydroxylamino-2,6-dinitrotoluene -----> 2,2',6,6'-Tetranitro-4,4'-azoxytoluene (reacID# r0468)
• 4-Nitrocatechol (compID# c0263)
  • p-Nitrophenol -----> 4-Nitrocatechol (reacID# r0230)
  • 4-Nitrocatechol -----> 1,2,4-Benzenetriol (reacID# r0231)
• 1-Nitro-1,2-dihydro-1,3,5-triazine (compID# c0794)
  • 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine -----> 1-Nitro-1,2-dihydro-1,3,5-triazine (reacID# r0871)
  • 1-Nitro-1,2-dihydro-1,3,5-triazine -----> 1-Nitro-1,3,5-triazinane-2,4-diol (reacID# r0872)
• 2-Amino-4,6-dinitrotoluene (compID# c0459)
  • 2-Hydroxylamino-4,6-dinitrotoluene -----> 2-Amino-4,6-dinitrotoluene (reacID# r0471)
  • 2,4,6-Trinitrotoluene -----> 2-Amino-4,6-dinitrotoluene (reacID# r0476)
  • 2-Amino-4,6-dinitrotoluene -----> 2-Amino-4-nitrotoluene (reacID# r0472)
  • 2-Amino-4,6-dinitrotoluene -----> 2,6-Diamino-4-nitrotoluene (reacID# r0473)
  • 2-Amino-4,6-dinitrotoluene -----> 2,4-Diamino-6-nitrotoluene (reacID# r0474)
• 1-Nitro-1,3,5-triazinane-2,4-diol (compID# c0795)
  • 1-Nitro-1,2-dihydro-1,3,5-triazine -----> 1-Nitro-1,3,5-triazinane-2,4-diol (reacID# r0872)
  • 1-Nitro-1,3,5-triazinane-2,4-diol -----> Formamide + 4-Nitro-2,4-diazabutanal (reacID# r0919)
• Cyclohex-1,5-diene-1-carboxyl-CoA (compID# c0212)
  • Benzoyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0190)
  • Cyclohex-2,5-diene-1-carboxyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0506)
  • Cyclohex-1,4-diene-1-carboxyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0507)
  • Cyclohex-1,5-diene-1-carboxyl-CoA -----> 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA (reacID# r0203)
• 3-Methylquinoline (compID# c0070)
  • 3-Methylquinoline -----> 3-Methyl-2-oxo-1,2-dihydroquinoline (reacID# r0045)
• Formamide (compID# c0796)
  • 1-Nitro-1,3,5-triazinane-2,4-diol -----> Formamide + 4-Nitro-2,4-diazabutanal (reacID# r0919)
  • Formamide -----> Formate (reacID# r0873)
• Selenodiglutathione (compID# c0743)
  • Selenite -----> Selenodiglutathione (reacID# r0830)
  • Selenodiglutathione -----> Glutathionyl selenide anion (reacID# r0831)
• Cyclohex-2,5-diene-1-carboxyl-CoA (compID# c0213)
  • Cyclohex-2,5-diene-1-carboxyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0506)
• 3-Methyl-2-oxo-1,2-dihydroquinoline (compID# c0071)
  • 3-Methylquinoline -----> 3-Methyl-2-oxo-1,2-dihydroquinoline (reacID# r0045)
  • 3-Methyl-2-oxo-1,2-dihydroquinoline -----> 6-Hydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0046)
  • 3-Methyl-2-oxo-1,2-dihydroquinoline -----> cis-5,6-Dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0052)
• Glutathionyl selenide anion (compID# c0744)
  • Selenodiglutathione -----> Glutathionyl selenide anion (reacID# r0831)
  • Glutathionyl selenide anion -----> Hydrogen Selenide (reacID# r0832)
• Formylmethanofuran (compID# c0338)
  • Carbon Dioxide -----> Formylmethanofuran (reacID# r0345)
  • Formylmethanofuran -----> N5-Formyl-5,6,7,8-tetrahydromethanopterin (reacID# r0346)
• Cyclohex-1,4-diene-1-carboxyl-CoA (compID# c0214)
  • Cyclohex-1,4-diene-1-carboxyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0507)
• 6-Hydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (compID# c0072)
  • 3-Methyl-2-oxo-1,2-dihydroquinoline -----> 6-Hydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0046)
  • 6-Hydroxy-3-methyl-2-oxo-1,2-dihydroquinoline -----> 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0048)
• N5-Formyl-5,6,7,8-tetrahydromethanopterin (compID# c0339)
  • Formylmethanofuran -----> N5-Formyl-5,6,7,8-tetrahydromethanopterin (reacID# r0346)
  • N5-Formyl-5,6,7,8-tetrahydromethanopterin -----> N5,N10-Methenyltetrahydromethanopterin (reacID# r0347)
• 4-Aminobenzoate (compID# c0550)
  • 4-Carboxy-4'-sulfoazobenzene -----> 4-Aminobenzoate + 4-Aminobenzenesulfonate (reacID# r0543)
  • 4-Aminobenzoate -----> 3,4-Dihydroxybenzoate (reacID# r0566)
  • 4-Aminobenzoate -----> p-Aminophenol (reacID# r0597)
• Cyclohex-1-ene-1-carboxyl-CoA (compID# c0215)
  • Cyclohex-1-ene-1-carboxyl-CoA -----> 2-Hydroxycyclohexane-1-carboxyl-CoA (reacID# r0191)
• Benzoyl acetyl-CoA (compID# c0268)
  • Benzoyl acetate -----> Benzoyl acetyl-CoA (reacID# r0242)
  • Benzoyl acetyl-CoA -----> Acetyl-CoA + Benzoyl-CoA (reacID# r0243)
• 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (compID# c0073)
  • 6-Hydroxy-3-methyl-2-oxo-1,2-dihydroquinoline -----> 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0048)
  • cis-5,6-Dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline -----> 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0053)
  • 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline -----> 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon (reacID# r0049)
• 4-Aminobenzenesulfonate (compID# c0551)
  • 4-Carboxy-4'-sulfoazobenzene -----> 4-Aminobenzoate + 4-Aminobenzenesulfonate (reacID# r0543)
  • Sulfanilamide -----> 4-Aminobenzenesulfonate (reacID# r1458)
  • 4-Aminobenzenesulfonate -----> 4-Sulfocatechol (reacID# r0580)
  • 4-Aminobenzenesulfonate -----> 4-Hydroxybenzenesulfonate (reacID# r1459)
• 2-Hydroxycyclohexane-1-carboxyl-CoA (compID# c0216)
  • Cyclohex-1-ene-1-carboxyl-CoA -----> 2-Hydroxycyclohexane-1-carboxyl-CoA (reacID# r0191)
  • 2-Hydroxycyclohexane-1-carboxyl-CoA -----> 2-Ketocyclohexane-1-carboxyl-CoA (reacID# r0192)
• Bromoxynil (compID# c0480)
  • Bromoxynil -----> 2,6-Dibromohydroquinone (reacID# r0539)
  • Bromoxynil -----> 3,5-Dibromo-4-hydroxybenzamide (reacID# r0544)
  • Bromoxynil -----> 3,5-Dibromo-4-hydroxybenzoate (reacID# r0548)
• 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon (compID# c0074)
  • 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline -----> 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon (reacID# r0049)
  • 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon -----> 2,5,6-Trihydroxy-3-methylpyridine + 2-Oxobut-3-enanoate (reacID# r0051)
• 5-Aminosalicylaldehyde (compID# c0747)
  • (3E)-4-(5-Amino-2-hydroxy-phenyl)-2-oxo-but-3-ene-1-oic-acid -----> Pyruvate + 5-Aminosalicylaldehyde (reacID# r0816)
  • 5-Aminosalicylaldehyde -----> 5-Aminosalicylate (reacID# r0817)
• 2-Ketocyclohexane-1-carboxyl-CoA (compID# c0217)
  • 2-Hydroxycyclohexane-1-carboxyl-CoA -----> 2-Ketocyclohexane-1-carboxyl-CoA (reacID# r0192)
  • 2-Ketocyclohexane-1-carboxyl-CoA -----> Pimeloyl-CoA (reacID# r0193)
• 2,5,6-Trihydroxy-3-methylpyridine (compID# c0075)
  • 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon -----> 2,5,6-Trihydroxy-3-methylpyridine + 2-Oxobut-3-enanoate (reacID# r0051)
• Mordant Yellow 3 (compID# c0748)
  • Mordant Yellow 3 -----> 5-Aminosalicylate + 6-Amino-2-naphthalenesulfonic acid (reacID# r0808)
• Perillyl-CoA (compID# c0677)
  • Perillic acid -----> Perillyl-CoA (reacID# r0731)
  • Perillyl-CoA -----> 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA (reacID# r1002)
• 2,4,6-Triaminotoluene (compID# c0482)
  • 2,4-Diamino-6-hydroxylaminotoluene -----> 2,4,6-Triaminotoluene (reacID# r0627)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4,6-Triaminotoluene (reacID# r0629)
  • 2,4,6-Triaminotoluene -----> 2,4,6-Trihydroxytoluene (reacID# r0630)
• Pimeloyl-CoA (compID# c0218)
  • 2-Ketocyclohexane-1-carboxyl-CoA -----> Pimeloyl-CoA (reacID# r0193)
  • Pimeloyl-CoA -----> 2,3-Didehydro-pimeloyl-CoA (reacID# r0194)
• cis-5,6-Dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline (compID# c0076)
  • 3-Methyl-2-oxo-1,2-dihydroquinoline -----> cis-5,6-Dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0052)
  • cis-5,6-Dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline -----> 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline (reacID# r0053)
• cis-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (compID# c0749)
  • 5-Aminosalicylate -----> cis-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (reacID# r0809)
  • cis-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate -----> trans-4-Amino-6-carboxy-2-oxo-hexa-3,5-dienoate (reacID# r0818)
• (3R)-3-Isopropenyl -6-oxoheptanoyl-CoA (compID# c0678)
  • (3R)-3-Isopropenyl-6-oxoheptanoate -----> (3R)-3-Isopropenyl -6-oxoheptanoyl-CoA (reacID# r0737)
• 2,4-Diamino-6-hydroxylaminotoluene (compID# c0483)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4-Diamino-6-hydroxylaminotoluene (reacID# r0624)
  • 2,4-Diamino-6-nitrotoluene -----> 2,4-Diamino-6-hydroxylaminotoluene (reacID# r0625)
  • 2,4-Diamino-6-hydroxylaminotoluene -----> 2,4,6-Triaminotoluene (reacID# r0627)
• 2,3-Didehydro-pimeloyl-CoA (compID# c0219)
  • Pimeloyl-CoA -----> 2,3-Didehydro-pimeloyl-CoA (reacID# r0194)
  • 2,3-Didehydro-pimeloyl-CoA -----> 3-Hydroxypimelyl-CoA (reacID# r0195)
• Acrylonitrile (compID# c0148)
  • Acrylonitrile -----> Acrylamide (reacID# r0083)
  • Acrylonitrile -----> Acrylate (reacID# r0622)
• 2-Nitropropane (compID# c0555)
  • 2-Nitropropane -----> Acetone (reacID# r0585)
• Acrylamide (compID# c0149)
  • Acrylonitrile -----> Acrylamide (reacID# r0083)
  • Acrylamide -----> Acrylate (reacID# r0084)
• epsilon-Caprolactam (compID# c0432)
  • epsilon-Caprolactam -----> 6-Aminohexanoate (reacID# r0448)
• Nitrilotriacetate (compID# c0557)
  • Nitrilotriacetate -----> Glyoxylate + Iminodiacetate (reacID# r0587)
  • Nitrilotriacetate -----> Glyoxylate + Iminodiacetate (reacID# r0588)
• 6-Aminohexanoate (compID# c0433)
  • epsilon-Caprolactam -----> 6-Aminohexanoate (reacID# r0448)
  • 6-Aminohexanoate Hexamer -----> 6-Aminohexanoate + 6-Aminohexanoate Pentamer (reacID# r1086)
  • 6-Aminohexanoate Pentamer -----> 6-Aminohexanoate + 6-Aminohexanoate Tetramer (reacID# r1093)
  • 6-Aminohexanoate Tetramer -----> 6-Aminohexanoate + 6-Aminohexanoate Trimer (reacID# r1094)
  • 6-Aminohexanoate Trimer -----> 6-Aminohexanoate Linear Dimer + 6-Aminohexanoate (reacID# r1095)
  • 6-Aminohexanoate Linear Dimer -----> 6-Aminohexanoate (reacID# r1096)
  • 6-Aminohexanoate -----> 6-Oxohexanoate (reacID# r0449)
• Propanoyl-CoA (compID# c0363)
  • 2-Oxobutanoate -----> Propanoyl-CoA (reacID# r0358)
  • 2-Methyl-3-oxohexanoyl-CoA -----> Butyryl-CoA + Propanoyl-CoA (reacID# r0931)
  • 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA -----> Propanoyl-CoA + 3-Isopropylbut-3-enoyl-CoA (reacID# r0987)
  • 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Propanoyl-CoA + Pivalyl-CoA (reacID# r1274)
  • 3-Sulfinopropionate-CoA -----> Propanoyl-CoA (reacID# r1584)
• Iminodiacetate (compID# c0558)
  • Nitrilotriacetate -----> Glyoxylate + Iminodiacetate (reacID# r0587)
  • Nitrilotriacetate -----> Glyoxylate + Iminodiacetate (reacID# r0588)
  • Iminodiacetate -----> Glyoxylate + Glycine (reacID# r0589)
• 3-Hydroxy-5-oxohexanoyl-CoA (compID# c0029)
  • 3-Hydroxy-5-oxohexanoate -----> 3-Hydroxy-5-oxohexanoyl-CoA (reacID# r0009)
  • 3-Hydroxy-5-oxohexanoyl-CoA -----> (3S)-3-Hydroxybutyryl-CoA (reacID# r0010)
• Glycine (compID# c0559)
  • Iminodiacetate -----> Glyoxylate + Glycine (reacID# r0589)
• o-Nitrobenzoate (compID# c0771)
  • o-Nitrobenzoate -----> o-Hydroxylaminobenzoate (reacID# r0849)
• Deisopropyldeethylatrazine (compID# c0170)
  • Deethylatrazine -----> Deisopropyldeethylatrazine (reacID# r0128)
  • Deisopropyldeethylatrazine -----> 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine (reacID# r0129)
• 3,5-Dibromo-4-hydroxybenzamide (compID# c0508)
  • Bromoxynil -----> 3,5-Dibromo-4-hydroxybenzamide (reacID# r0544)
  • 3,5-Dibromo-4-hydroxybenzamide -----> 3,5-Dibromo-4-hydroxybenzoate (reacID# r0545)
• Nitrobenzene (compID# c0313)
  • Nitrobenzene -----> Nitrosobenzene (reacID# r0302)
  • Nitrobenzene -----> Catechol (reacID# r0306)
• 2-Hydroxy-4,6-diamino-1,3,5-triazine (compID# c0171)
• 2,4-Dihydroxy-6-amino-1,3,5-triazine (compID# c0172)
  • 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine -----> 2,4-Dihydroxy-6-amino-1,3,5-triazine (reacID# r1414)
  • 2,4-Dihydroxy-6-amino-1,3,5-triazine -----> Cyanuric acid (reacID# r1415)
• Benzonitrile (compID# c0367)
  • Thiobenzamide S,S-dioxide -----> Benzonitrile (reacID# r1317)
  • Benzonitrile -----> Benzamide (reacID# r0374)
  • Benzonitrile -----> Benzoate (reacID# r0377)
• Nitrosobenzene (compID# c0314)
  • Nitrobenzene -----> Nitrosobenzene (reacID# r0302)
  • Nitrosobenzene -----> Hydroxylaminobenzene (reacID# r0303)
• Hydroxylaminobenzene (compID# c0315)
  • Nitrosobenzene -----> Hydroxylaminobenzene (reacID# r0303)
  • Hydroxylaminobenzene -----> 2-Aminophenol (reacID# r0304)
• 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine (compID# c0173)
  • Deisopropyldeethylatrazine -----> 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine (reacID# r0129)
  • 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine -----> 2,4-Dihydroxy-6-amino-1,3,5-triazine (reacID# r1414)
• Benzamide (compID# c0368)
  • Benzonitrile -----> Benzamide (reacID# r0374)
  • Benzamide -----> Benzoate (reacID# r0375)
• 2,4,6-Trinitrotoluene (compID# c0439)
  • 2,4,6-Trinitrotoluene -----> 4-Amino-2,6-dinitrotoluene (reacID# r0460)
  • 2,4,6-Trinitrotoluene -----> 4-Hydroxylamino-2,6-dinitrotoluene (reacID# r0465)
  • 2,4,6-Trinitrotoluene -----> 2-Hydroxylamino-4,6-dinitrotoluene (reacID# r0469)
  • 2,4,6-Trinitrotoluene -----> 2-Amino-4,6-dinitrotoluene (reacID# r0476)
• Nitrous Oxide (compID# c0650)
  • Hexahydro-1,3,5-trinitroso-1,3,5-triazine -----> Carbon Dioxide + Nitrous Oxide (reacID# r0878)
  • Nitramine -----> Nitrous Oxide (reacID# r1037)
• 2-Aminophenol (compID# c0316)
  • Hydroxylaminobenzene -----> 2-Aminophenol (reacID# r0304)
  • 2-Aminophenol -----> 2-Aminomuconate semialdehyde (reacID# r0305)
• 2-Aminobenzenesulfonate (compID# c0245)
  • 2-Aminobenzenesulfonate -----> 3-Sulfocatechol (reacID# r0218)
• o-Hydroxylaminobenzoate (compID# c0776)
  • o-Nitrobenzoate -----> o-Hydroxylaminobenzoate (reacID# r0849)
  • o-Hydroxylaminobenzoate -----> 2-Aminobenzoate (reacID# r0850)
  • o-Hydroxylaminobenzoate -----> 3-Hydroxyanthranilate (reacID# r1026)
• Pentaerythritol tetranitrate (compID# c0051)
  • Pentaerythritol tetranitrate -----> Pentaerythritol trinitrate (reacID# r0025)
• Allophanate (compID# c0777)
  • Biuret -----> Allophanate (reacID# r0846)
  • Allophanate -----> Carbon Dioxide (reacID# r0848)
• 2-Aminomuconate semialdehyde (compID# c0318)
  • 2-Aminophenol -----> 2-Aminomuconate semialdehyde (reacID# r0305)
• Cyanazine (compID# c0176)
• Pentaerythritol trinitrate (compID# c0052)
  • Pentaerythritol tetranitrate -----> Pentaerythritol trinitrate (reacID# r0025)
  • Pentaerythritol trinitrate -----> Pentaerythritol dinitrate (reacID# r0031)
• 2-Chloro-N-isopropylacetanilide (compID# c0653)
  • 2-Chloro-N-isopropylacetanilide -----> N-Isopropylacetanilide (reacID# r0719)
  • 2-Chloro-N-isopropylacetanilide -----> 2-Chloro-N-isopropylacetamide + Catechol (reacID# r0724)
• 4-Hydroxybenzoyl-CoA (compID# c0124)
  • 4-Chlorobenzoyl-CoA -----> 4-Hydroxybenzoyl-CoA (reacID# r0140)
  • 4-Hydroxybenzoate -----> 4-Hydroxybenzoyl-CoA (reacID# r0156)
  • 4-Fluorobenzoyl-CoA -----> 4-Hydroxybenzoyl-CoA (reacID# r1211)
  • 4-Hydroxybenzoyl-CoA -----> 4-Hydroxybenzoate (reacID# r0141)
  • 4-Hydroxybenzoyl-CoA -----> Benzoyl-CoA (reacID# r0158)
• Pentaerythritol dinitrate (compID# c0053)
  • Pentaerythritol trinitrate -----> Pentaerythritol dinitrate (reacID# r0031)
• N-Isopropylacetanilide (compID# c0654)
  • 2-Chloro-N-isopropylacetanilide -----> N-Isopropylacetanilide (reacID# r0719)
  • N-Isopropylacetanilide -----> N-Isopropylaniline + Acetate (reacID# r0913)
  • N-Isopropylacetanilide -----> Acetanilide + Acetone (reacID# r0914)
• Monodemethylisoproturon (compID# c0811)
  • Isoproturon -----> Formaldehyde + Monodemethylisoproturon (reacID# r0892)
  • Monodemethylisoproturon -----> Hydroxymonodemethylisoproturon (reacID# r0893)
  • Monodemethylisoproturon -----> Formaldehyde + Didemethylisoproturon (reacID# r0897)
• Hydroxymonodemethylisoproturon (compID# c0812)
  • Monodemethylisoproturon -----> Hydroxymonodemethylisoproturon (reacID# r0893)
  • Hydroxymonodemethylisoproturon -----> Formaldehyde + 4'-(2-Hydroxyisopropyl)phenylurea (reacID# r0894)
• 4'-(2-Hydroxyisopropyl)phenylurea (compID# c0813)
  • Hydroxymonodemethylisoproturon -----> Formaldehyde + 4'-(2-Hydroxyisopropyl)phenylurea (reacID# r0894)
  • Didemethylisoproturon -----> 4'-(2-Hydroxyisopropyl)phenylurea (reacID# r0899)
  • 4'-(2-Hydroxyisopropyl)phenylurea -----> 4'-(2-Hydroxyisopropyl)phenylaniline + Carbamate (reacID# r0895)
• 4'-(2-Hydroxyisopropyl)phenylaniline (compID# c0814)
  • 4'-(2-Hydroxyisopropyl)phenylurea -----> 4'-(2-Hydroxyisopropyl)phenylaniline + Carbamate (reacID# r0895)
  • 4-Isopropylaniline -----> 4'-(2-Hydroxyisopropyl)phenylaniline (reacID# r0901)
  • 4'-(2-Hydroxyisopropyl)phenylaniline -----> Carbon Dioxide (reacID# r0896)
• Didemethylisoproturon (compID# c0815)
  • Monodemethylisoproturon -----> Formaldehyde + Didemethylisoproturon (reacID# r0897)
  • Didemethylisoproturon -----> 4-Isopropylaniline + Carbamate (reacID# r0898)
  • Didemethylisoproturon -----> 4'-(2-Hydroxyisopropyl)phenylurea (reacID# r0899)
• 4-Isopropylaniline (compID# c0816)
  • Didemethylisoproturon -----> 4-Isopropylaniline + Carbamate (reacID# r0898)
  • 4-Isopropylaniline -----> 4,4'-Diisopropylazobenzene (reacID# r0900)
  • 4-Isopropylaniline -----> 4'-(2-Hydroxyisopropyl)phenylaniline (reacID# r0901)
• 4,4'-Diisopropylazobenzene (compID# c0817)
  • 4-Isopropylaniline -----> 4,4'-Diisopropylazobenzene (reacID# r0900)
• N-Carboxyglycine (compID# c0818)
  • (3,5-Dichlorophenylurea)acetate -----> 3,5-Dichloroaniline + N-Carboxyglycine (reacID# r0708)
• (2-Methylhexyl)malonyl-CoA (compID# c0832)
  • (1-Methylpentyl)succinyl-CoA -----> (2-Methylhexyl)malonyl-CoA (reacID# r0922)
  • (2-Methylhexyl)malonyl-CoA -----> 4-Methyloctanoyl-CoA (reacID# r0923)
• 4-Nitro-2,4-diazabutanal (compID# c0862)
  • 1-Nitro-1,3,5-triazinane-2,4-diol -----> Formamide + 4-Nitro-2,4-diazabutanal (reacID# r0919)
• (1-Methylpentyl)succinyl-CoA (compID# c0831)
  • (1-Methylpentyl)succinate -----> (1-Methylpentyl)succinyl-CoA (reacID# r0921)
  • (1-Methylpentyl)succinyl-CoA -----> (2-Methylhexyl)malonyl-CoA (reacID# r0922)
• Coenzyme A (compID# c0919)
  • 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA -----> Carbon Dioxide + 1,4-Cyclohexanedione + Coenzyme A (reacID# r0584)
  • Ethylene Oxide + Coenzyme A -----> Acetyl-CoA (reacID# r0595)
• 4-Methyloctanoyl-CoA (compID# c0833)
  • (2-Methylhexyl)malonyl-CoA -----> 4-Methyloctanoyl-CoA (reacID# r0923)
  • 4-Methyloctanoyl-CoA -----> 4-Methyloct-2-enoyl-CoA (reacID# r0924)
• 3-Hydroxy-4-methyloctanoyl-CoA (compID# c0835)
  • 4-Methyloct-2-enoyl-CoA -----> 3-Hydroxy-4-methyloctanoyl-CoA (reacID# r0925)
  • 3-Hydroxy-4-methyloctanoyl-CoA -----> 4-Methyl-3-oxooctanoyl-CoA (reacID# r0926)
• 4-Methyl-3-oxooctanoyl-CoA (compID# c0836)
  • 3-Hydroxy-4-methyloctanoyl-CoA -----> 4-Methyl-3-oxooctanoyl-CoA (reacID# r0926)
  • 4-Methyl-3-oxooctanoyl-CoA -----> Acetyl-CoA + 2-Methylhexanoyl-CoA (reacID# r0927)
• 2-Methylhexanoyl-CoA (compID# c0837)
  • 4-Methyl-3-oxooctanoyl-CoA -----> Acetyl-CoA + 2-Methylhexanoyl-CoA (reacID# r0927)
  • 2-Methylhexanoyl-CoA -----> 2-Methylhex-2-enoyl-CoA (reacID# r0928)
• 2-Methylhex-2-enoyl-CoA (compID# c0838)
  • 2-Methylhexanoyl-CoA -----> 2-Methylhex-2-enoyl-CoA (reacID# r0928)
  • 2-Methylhex-2-enoyl-CoA -----> 3-Hydroxy-2-methylhexanoyl-CoA (reacID# r0929)
• 3-Hydroxy-2-methylhexanoyl-CoA (compID# c0839)
  • 2-Methylhex-2-enoyl-CoA -----> 3-Hydroxy-2-methylhexanoyl-CoA (reacID# r0929)
  • 3-Hydroxy-2-methylhexanoyl-CoA -----> 2-Methyl-3-oxohexanoyl-CoA (reacID# r0930)
• 2-Methyl-3-oxohexanoyl-CoA (compID# c0840)
  • 3-Hydroxy-2-methylhexanoyl-CoA -----> 2-Methyl-3-oxohexanoyl-CoA (reacID# r0930)
  • 2-Methyl-3-oxohexanoyl-CoA -----> Butyryl-CoA + Propanoyl-CoA (reacID# r0931)
• Pyrrole (compID# c0879)
  • Pyrrole-2-carboxylate -----> Pyrrole (reacID# r0970)
• Pyrrole-2-carboxylate (compID# c0881)
  • Pyrrole-2-carboxylate -----> 5-Hydroxypyrrole-2-carboxylate (reacID# r0968)
  • Pyrrole-2-carboxylate -----> Pyrrole (reacID# r0970)
• 5-Hydroxypyrrole-2-carboxylate (compID# c0882)
  • Pyrrole-2-carboxylate -----> 5-Hydroxypyrrole-2-carboxylate (reacID# r0968)
  • 5-Hydroxypyrrole-2-carboxylate -----> 5-Oxo-4,5-dihydropyrrole-2-carboxylate (reacID# r0969)
• 5-Oxo-4,5-dihydropyrrole-2-carboxylate (compID# c0883)
  • 5-Hydroxypyrrole-2-carboxylate -----> 5-Oxo-4,5-dihydropyrrole-2-carboxylate (reacID# r0969)
  • 5-Oxo-4,5-dihydropyrrole-2-carboxylate -----> 2-Oxoglutarate (reacID# r0984)
• 6-Hydroxy-3-succinoylpyridine (compID# c1249)
  • 6-Hydroxypseudooxynicotine -----> 6-Hydroxy-3-succinoylpyridine (reacID# r1441)
  • 6-Hydroxy-3-succinoylpyridine -----> Succinic semialdehyde + 2,5-Dihydroxypyridine (reacID# r1442)
• cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA (compID# c0885)
  • cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid -----> cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA (reacID# r0988)
  • cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA -----> 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (reacID# r0990)
• trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA (compID# c0886)
  • trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid -----> trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA (reacID# r0989)
  • trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA -----> 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (reacID# r0992)
• 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (compID# c0887)
  • cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA -----> 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (reacID# r0990)
  • trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA -----> 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (reacID# r0992)
  • 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA -----> 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA (reacID# r0986)
• 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA (compID# c0888)
  • 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA -----> 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA (reacID# r0986)
  • 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA -----> Propanoyl-CoA + 3-Isopropylbut-3-enoyl-CoA (reacID# r0987)
• 3-Isopropylbut-3-enoyl-CoA (compID# c0889)
  • 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA -----> Propanoyl-CoA + 3-Isopropylbut-3-enoyl-CoA (reacID# r0987)
  • 3-Isopropylbut-3-enoyl-CoA -----> 3-Isopropylbut-3-enoic acid (reacID# r0994)
• 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA (compID# c0893)
  • Perillyl-CoA -----> 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA (reacID# r1002)
  • 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA -----> 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA (reacID# r1003)
• N-Cyclohexylisocyanide (compID# c0908)
  • N-Cyclohexylisocyanide -----> N-Cyclohexylformamide (reacID# r1029)
• 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA (compID# c0894)
  • 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA -----> 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA (reacID# r1003)
  • 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA -----> 3-Isopropenylpimelyl-CoA (reacID# r1004)
• 3-Hydroxyanthranilate (compID# c0905)
  • o-Hydroxylaminobenzoate -----> 3-Hydroxyanthranilate (reacID# r1026)
  • 3-Hydroxyanthranilate -----> 2-Amino-3-carboxymuconate-6-semialdehyde (reacID# r1027)
• 2-Amino-3-carboxymuconate-6-semialdehyde (compID# c0906)
  • 3-Hydroxyanthranilate -----> 2-Amino-3-carboxymuconate-6-semialdehyde (reacID# r1027)
• N-Cyclohexylformamide (compID# c0909)
  • N-Cyclohexylisocyanide -----> N-Cyclohexylformamide (reacID# r1029)
  • N-Cyclohexylformamide -----> Formate + Cyclohexylamine (reacID# r1030)
• 3-Methylbutyryl-CoA (compID# c0914)
  • Pivalyl-CoA -----> 3-Methylbutyryl-CoA (reacID# r1033)
• Pivalyl-CoA (compID# c0915)
  • Pivalate -----> Pivalyl-CoA (reacID# r1032)
  • 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Propanoyl-CoA + Pivalyl-CoA (reacID# r1274)
  • Pivalyl-CoA -----> 3-Methylbutyryl-CoA (reacID# r1033)
• Ethyl amine (compID# c0920)
  • Hydroxyatrazine -----> N-Isopropylammelide + Ethyl amine (reacID# r0114)
  • 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine -----> Cyanuric acid + Ethyl amine (reacID# r0122)
  • Diethylamine -----> Acetaldehyde + Ethyl amine (reacID# r1589)
  • Ethyl amine -----> Acetaldehyde (reacID# r1590)
• Cyclopropylamine (compID# c0921)
  • N-Cyclopropylammelide -----> Cyanuric acid + Cyclopropylamine (reacID# r0827)
• Carbamate (compID# c0922)
  • 4'-(2-Hydroxyisopropyl)phenylurea -----> 4'-(2-Hydroxyisopropyl)phenylaniline + Carbamate (reacID# r0895)
  • Didemethylisoproturon -----> 4-Isopropylaniline + Carbamate (reacID# r0898)
• Aniline (compID# c0929)
  • Aniline -----> Catechol (reacID# r1047)
• L-Valine (compID# c0932)
  • L-Valine -----> Isobutylamine (reacID# r1052)
• L-Serine (compID# c0933)
  • L-Serine + Isobutylhydroxylamine -----> Valanimycin (reacID# r1054)
• Isobutylamine (compID# c0934)
  • L-Valine -----> Isobutylamine (reacID# r1052)
  • Isobutylamine -----> Isobutylhydroxylamine (reacID# r1053)
• Isobutylhydroxylamine (compID# c0935)
  • Isobutylamine -----> Isobutylhydroxylamine (reacID# r1053)
  • L-Serine + Isobutylhydroxylamine -----> Valanimycin (reacID# r1054)
• Valanimycin (compID# c0936)
  • L-Serine + Isobutylhydroxylamine -----> Valanimycin (reacID# r1054)
• Cyclopropanecarboxyl-CoA (compID# c0938)
  • Cyclopropanecarboxylate -----> Cyclopropanecarboxyl-CoA (reacID# r1056)
  • Cyclopropanecarboxyl-CoA -----> Crotonoyl-CoA (reacID# r1057)
• Adipyl-CoA (compID# c0942)
  • Adipate -----> Adipyl-CoA (reacID# r1060)
  • Adipyl-CoA -----> 5-Carboxy-2-pentenoyl-CoA (reacID# r1061)
• 5-Carboxy-2-pentenoyl-CoA (compID# c0943)
  • Adipyl-CoA -----> 5-Carboxy-2-pentenoyl-CoA (reacID# r1061)
  • 5-Carboxy-2-pentenoyl-CoA -----> (3S)-3-Hydroxyadipyl-CoA (reacID# r1062)
• (3S)-3-Hydroxyadipyl-CoA (compID# c0944)
  • 5-Carboxy-2-pentenoyl-CoA -----> (3S)-3-Hydroxyadipyl-CoA (reacID# r1062)
  • (3S)-3-Hydroxyadipyl-CoA -----> 3-Oxoadipyl-CoA (reacID# r1063)
• 2,4,6-Trinitrophenol (compID# c0945)
  • 2,4,6-Trinitrophenol -----> TNP Hydride Meisenheimer complex (reacID# r1065)
• Hydrogen (1R,2R)-1-glutathio-2-hydroxypropylphosphonic acid (compID# c0972)
  • Hydrogen (2R,3S)-3-methyloxiran-2-ylphosphonic acid -----> Hydrogen (1R,2R)-1-glutathio-2-hydroxypropylphosphonic acid (reacID# r1073)
• Hydrogen (1R,2R)-1- L-cysteine-2-hydroxypropylphosphonic acid (compID# c0973)
  • Hydrogen (2R,3S)-3-methyloxiran-2-ylphosphonic acid -----> Hydrogen (1R,2R)-1- L-cysteine-2-hydroxypropylphosphonic acid (reacID# r1074)
• TNP Hydride Meisenheimer complex (compID# c0975)
  • 2,4,6-Trinitrophenol -----> TNP Hydride Meisenheimer complex (reacID# r1065)
  • TNP Hydride Meisenheimer complex -----> TNP Dihydride Meisenheimer complex (aci form) (reacID# r1066)
  • TNP Hydride Meisenheimer complex -----> 2,4-Dinitrophenol (reacID# r1448)
• TNP Dihydride Meisenheimer complex (aci form) (compID# c0977)
  • TNP Hydride Meisenheimer complex -----> TNP Dihydride Meisenheimer complex (aci form) (reacID# r1066)
  • TNP Dihydride Meisenheimer complex (aci form) -----> 2,4-DNP Hydride Meisenheimer complex (reacID# r1067)
  • TNP Dihydride Meisenheimer complex (aci form) -----> TNP Dihydride Meisenheimer complex (nitro form) (reacID# r1070)
• 2,4-DNP Hydride Meisenheimer complex (compID# c0978)
  • TNP Dihydride Meisenheimer complex (aci form) -----> 2,4-DNP Hydride Meisenheimer complex (reacID# r1067)
  • 2,4-Dinitrophenol -----> 2,4-DNP Hydride Meisenheimer complex (reacID# r1071)
  • 2,4-DNP Hydride Meisenheimer complex -----> 2,4-Dinitrocyclohexanone (reacID# r1068)
• 2,4-Dinitrocyclohexanone (compID# c0979)
  • 2,4-DNP Hydride Meisenheimer complex -----> 2,4-Dinitrocyclohexanone (reacID# r1068)
  • 2,4-Dinitrocyclohexanone -----> 4,6-Dinitrohexanoate (reacID# r1069)
• 4,6-Dinitrohexanoate (compID# c0980)
  • 2,4-Dinitrocyclohexanone -----> 4,6-Dinitrohexanoate (reacID# r1069)
  • 4,6-Dinitrohexanoate -----> Carbon Dioxide (reacID# r1072)
• 2,4-Dinitrophenol (compID# c0981)
  • TNP Hydride Meisenheimer complex -----> 2,4-Dinitrophenol (reacID# r1448)
  • 2,4-Dinitrophenol -----> 2,4-DNP Hydride Meisenheimer complex (reacID# r1071)
• TNP Dihydride Meisenheimer complex (nitro form) (compID# c0982)
  • TNP Dihydride Meisenheimer complex (aci form) -----> TNP Dihydride Meisenheimer complex (nitro form) (reacID# r1070)
• 6-Aminohexanoate Hexamer (compID# c0983)
  • 6-Aminohexanoate Hexamer -----> 6-Aminohexanoate + 6-Aminohexanoate Pentamer (reacID# r1086)
• 6-Aminohexanoate Pentamer (compID# c0984)
  • 6-Aminohexanoate Hexamer -----> 6-Aminohexanoate + 6-Aminohexanoate Pentamer (reacID# r1086)
  • 6-Aminohexanoate Pentamer -----> 6-Aminohexanoate + 6-Aminohexanoate Tetramer (reacID# r1093)
• 6-Aminohexanoate Tetramer (compID# c0985)
  • 6-Aminohexanoate Pentamer -----> 6-Aminohexanoate + 6-Aminohexanoate Tetramer (reacID# r1093)
  • 6-Aminohexanoate Tetramer -----> 6-Aminohexanoate + 6-Aminohexanoate Trimer (reacID# r1094)
• 6-Aminohexanoate Trimer (compID# c1000)
  • 6-Aminohexanoate Tetramer -----> 6-Aminohexanoate + 6-Aminohexanoate Trimer (reacID# r1094)
  • 6-Aminohexanoate Trimer -----> 6-Aminohexanoate + 6-Aminohexanoate Linear Dimer (reacID# r1095)
• 6-Aminohexanoate Linear Dimer (compID# c1001)
  • 6-Aminohexanoate Trimer -----> 6-Aminohexanoate + 6-Aminohexanoate Linear Dimer (reacID# r1095)
  • 6-Aminohexanoate Cyclic Dimer -----> 6-Aminohexanoate Linear Dimer (reacID# r1097)
  • 6-Aminohexanoate Linear Dimer -----> 6-Aminohexanoate (reacID# r1096)
• 6-Aminohexanoate Cyclic Dimer (compID# c1002)
  • 6-Aminohexanoate Cyclic Dimer -----> 6-Aminohexanoate Linear Dimer (reacID# r1097)
• S-Hydroxymethylglutathione (compID# c1012)
  • Formaldehyde -----> S-Hydroxymethylglutathione (reacID# r1145)
  • S-Hydroxymethylglutathione -----> S-Formylglutathione (reacID# r1146)
• 2-Mercaptobenzothiazole (compID# c1019)
  • 2-Mercaptobenzothiazole -----> 2-Mercaptobenzothiazole-cis-6,7-dihydrodiol (reacID# r1177)
  • 2-Mercaptobenzothiazole -----> 6-Hydroxy-2-mercaptobenzothiazole (reacID# r1178)
  • 2-Mercaptobenzothiazole -----> 2-(Methylthio)benzothiazole (reacID# r1286)
  • 2-Mercaptobenzothiazole -----> Benzothiazole (reacID# r1288)
  • 2-Mercaptobenzothiazole -----> Benzothiazole-2-sulfonate (reacID# r1289)
  • 2-Mercaptobenzothiazole -----> 2,2'-Dithio-bis-benzothiazole (reacID# r1293)
• 2-Mercaptobenzothiazole-cis-6,7-dihydrodiol (compID# c1021)
  • 2-Mercaptobenzothiazole -----> 2-Mercaptobenzothiazole-cis-6,7-dihydrodiol (reacID# r1177)
  • 2-Mercaptobenzothiazole-cis-6,7-dihydrodiol -----> 6,7-Dihydroxy-2-mercaptobenzothiazole (reacID# r1179)
• 6-Hydroxy-2-mercaptobenzothiazole (compID# c1022)
  • 2-Mercaptobenzothiazole -----> 6-Hydroxy-2-mercaptobenzothiazole (reacID# r1178)
  • 6-Hydroxy-2-mercaptobenzothiazole -----> 6,7-Dihydroxy-2-mercaptobenzothiazole (reacID# r1181)
• 6,7-Dihydroxy-2-mercaptobenzothiazole (compID# c1023)
  • 2-Mercaptobenzothiazole-cis-6,7-dihydrodiol -----> 6,7-Dihydroxy-2-mercaptobenzothiazole (reacID# r1179)
  • 6-Hydroxy-2-mercaptobenzothiazole -----> 6,7-Dihydroxy-2-mercaptobenzothiazole (reacID# r1181)
  • 6,7-Dihydroxy-2-mercaptobenzothiazole -----> 4-[2-Carboxylatovinyl]-2-mercaptothiazole-5-carboxylate (reacID# r1180)
• 4-[2-Carboxylatovinyl]-2-mercaptothiazole-5-carboxylate (compID# c1025)
  • 6,7-Dihydroxy-2-mercaptobenzothiazole -----> 4-[2-Carboxylatovinyl]-2-mercaptothiazole-5-carboxylate (reacID# r1180)
  • 4-[2-Carboxylatovinyl]-2-mercaptothiazole-5-carboxylate -----> Carbon Dioxide (reacID# r1300)
• Citronellyl-CoA (compID# c1031)
  • Citronellate -----> Citronellyl-CoA (reacID# r1157)
  • Citronellyl-CoA -----> cis-Geranyl-CoA (reacID# r1159)
• cis-Geranyl-CoA (compID# c1032)
  • Citronellyl-CoA -----> cis-Geranyl-CoA (reacID# r1159)
  • trans-Geranyl-CoA -----> cis-Geranyl-CoA (reacID# r1310)
  • cis-Geranyl-CoA -----> Isohexenyl-glutaconyl-CoA (reacID# r1166)
• Isohexenyl-glutaconyl-CoA (compID# c1033)
  • cis-Geranyl-CoA -----> Isohexenyl-glutaconyl-CoA (reacID# r1166)
  • Isohexenyl-glutaconyl-CoA -----> 3-Hydroxy-3-isohexeneylglutaryl-CoA (reacID# r1167)
• 3-Hydroxy-3-isohexeneylglutaryl-CoA (compID# c1034)
  • Isohexenyl-glutaconyl-CoA -----> 3-Hydroxy-3-isohexeneylglutaryl-CoA (reacID# r1167)
  • 3-Hydroxy-3-isohexeneylglutaryl-CoA -----> Acetate + 7-Methyl-3-oxo-6-octenoyl-CoA (reacID# r1168)
• 7-Methyl-3-oxo-6-octenoyl-CoA (compID# c1035)
  • 3-Hydroxy-3-isohexeneylglutaryl-CoA -----> Acetate + 7-Methyl-3-oxo-6-octenoyl-CoA (reacID# r1168)
  • 7-Methyl-3-oxo-6-octenoyl-CoA -----> 5-Methylhex-4-enoyl-CoA (reacID# r1302)
• 3-Methylcrotonyl-CoA (compID# c1036)
  • 5-Methyl-3-oxo-4-hexenoyl-CoA -----> 3-Methylcrotonyl-CoA (reacID# r1306)
• 4-Fluorobenzoyl-CoA (compID# c1061)
  • 4-Fluorobenzoate -----> 4-Fluorobenzoyl-CoA (reacID# r1210)
  • 4-Fluorobenzoyl-CoA -----> 4-Hydroxybenzoyl-CoA (reacID# r1211)
• 3,7-Dimethyl-5-oxo-octyl-CoA (compID# c1071)
  • Mentha-1,3-dione -----> 3,7-Dimethyl-5-oxo-octyl-CoA (reacID# r1186)
  • 3,7-Dimethyl-5-oxo-octyl-CoA -----> Carbon Dioxide (reacID# r1297)
• Thiophene-2-carboxyl-CoA (compID# c1084)
  • Thiophene-2-carboxylate -----> Thiophene-2-carboxyl-CoA (reacID# r1234)
  • Thiophene-2-carboxyl-CoA -----> 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA (reacID# r1235)
• 2-Furoyl-CoA (compID# c1184)
  • 2-Furoate -----> 2-Furoyl-CoA (reacID# r1355)
  • 2-Furoyl-CoA -----> 5-Hydroxy-2-furoyl-CoA (reacID# r1356)
• 5-Hydroxy-2-furoyl-CoA (compID# c1185)
  • 2-Furoyl-CoA -----> 5-Hydroxy-2-furoyl-CoA (reacID# r1356)
  • 5-Hydroxy-2-furoyl-CoA -----> 2-Oxoglutaryl-CoA (reacID# r1357)
• Caffeine (compID# c1094)
  • Caffeine -----> Theobromine (reacID# r1247)
  • Caffeine -----> Paraxanthine (reacID# r1251)
  • Caffeine -----> 1,3,7-Trimethyluric acid (reacID# r1321)
  • Caffeine -----> Theophylline (reacID# r1324)
• Theobromine (compID# c1095)
  • Caffeine -----> Theobromine (reacID# r1247)
  • Theobromine -----> 7-Methylxanthine (reacID# r1248)
  • Theobromine -----> 3,7-Dimethyluric acid (reacID# r1250)
  • Theobromine -----> 3-Methylxanthine (reacID# r1319)
• 7-Methylxanthine (compID# c1098)
  • Theobromine -----> 7-Methylxanthine (reacID# r1248)
  • Paraxanthine -----> 7-Methylxanthine (reacID# r1257)
  • 7-Methylxanthine -----> Xanthine (reacID# r1249)
  • 7-Methylxanthine -----> 7-Methyluric acid (reacID# r1253)
• Xanthine (compID# c1099)
  • 7-Methylxanthine -----> Xanthine (reacID# r1249)
  • 3-Methylxanthine -----> Xanthine (reacID# r1329)
  • 1-Methylxanthine -----> Xanthine (reacID# r1331)
• 3,7-Dimethyluric acid (compID# c1101)
  • Theobromine -----> 3,7-Dimethyluric acid (reacID# r1250)
• Paraxanthine (compID# c1102)
  • Caffeine -----> Paraxanthine (reacID# r1251)
  • Paraxanthine -----> 1,7-Dimethyluric acid (reacID# r1252)
  • Paraxanthine -----> 7-Methylxanthine (reacID# r1257)
  • Paraxanthine -----> 1-Methylxanthine (reacID# r1320)
• 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA (compID# c1105)
  • Thiophene-2-carboxyl-CoA -----> 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA (reacID# r1235)
  • 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA -----> (2Z)-5-Carboxy-2-sulfanylpent-2-enoyl-CoA (reacID# r1236)
• (2Z)-5-Carboxy-2-sulfanylpent-2-enoyl-CoA (compID# c1106)
  • 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA -----> (2Z)-5-Carboxy-2-sulfanylpent-2-enoyl-CoA (reacID# r1236)
  • (2Z)-5-Carboxy-2-sulfanylpent-2-enoyl-CoA -----> 2-Oxoglutaryl-CoA (reacID# r1237)
• 2-Oxoglutaryl-CoA (compID# c1107)
  • (2Z)-5-Carboxy-2-sulfanylpent-2-enoyl-CoA -----> 2-Oxoglutaryl-CoA (reacID# r1237)
  • 5-Hydroxy-2-furoyl-CoA -----> 2-Oxoglutaryl-CoA (reacID# r1357)
  • 2-Oxoglutaryl-CoA -----> 2-Oxoglutarate (reacID# r1238)
• Naphthyl-2-methyl-succinyl-CoA (compID# c1110)
  • Naphthyl-2-methyl-succinate -----> Naphthyl-2-methyl-succinyl-CoA (reacID# r1256)
  • Naphthyl-2-methyl-succinyl-CoA -----> Naphthyl-2-methylene-succinyl-CoA (reacID# r1258)
• Naphthyl-2-methylene-succinyl-CoA (compID# c1111)
  • Naphthyl-2-methyl-succinyl-CoA -----> Naphthyl-2-methylene-succinyl-CoA (reacID# r1258)
  • Naphthyl-2-methylene-succinyl-CoA -----> Naphthyl-2-hydroxymethyl-succinyl-CoA (reacID# r1259)
• Naphthyl-2-hydroxymethyl-succinyl-CoA (compID# c1112)
  • Naphthyl-2-methylene-succinyl-CoA -----> Naphthyl-2-hydroxymethyl-succinyl-CoA (reacID# r1259)
  • Naphthyl-2-hydroxymethyl-succinyl-CoA -----> Naphthyl-2-oxomethyl-succinyl-CoA (reacID# r1260)
• Naphthyl-2-oxomethyl-succinyl-CoA (compID# c1113)
  • Naphthyl-2-hydroxymethyl-succinyl-CoA -----> Naphthyl-2-oxomethyl-succinyl-CoA (reacID# r1260)
  • Naphthyl-2-oxomethyl-succinyl-CoA -----> Succinyl-CoA + 2-Naphthoyl-CoA (reacID# r1261)
• 2-Naphthoyl-CoA (compID# c1115)
  • Naphthyl-2-oxomethyl-succinyl-CoA -----> Succinyl-CoA + 2-Naphthoyl-CoA (reacID# r1261)
  • 2-Naphthoyl-CoA -----> 2-Naphthoate (reacID# r1262)
• 1,7-Dimethyluric acid (compID# c1103)
  • Paraxanthine -----> 1,7-Dimethyluric acid (reacID# r1252)
• 7-Methyluric acid (compID# c1104)
  • 7-Methylxanthine -----> 7-Methyluric acid (reacID# r1253)
• 2,4,4-Trimethylpentanoyl-CoA (compID# c1093)
  • 2,4,4-Trimethylpentanoate -----> 2,4,4-Trimethylpentanoyl-CoA (reacID# r1271)
  • 2,4,4-Trimethylpentanoyl-CoA -----> 2,4,4-Trimethylpent-2-enoyl-CoA (reacID# r1276)
• 2,4,4-Trimethylpent-2-enoyl-CoA (compID# c1108)
  • 2,4,4-Trimethylpentanoyl-CoA -----> 2,4,4-Trimethylpent-2-enoyl-CoA (reacID# r1276)
  • 2,4,4-Trimethylpent-2-enoyl-CoA -----> 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA (reacID# r1277)
• 2-(Methylthio)benzothiazole (compID# c1126)
  • 2-Mercaptobenzothiazole -----> 2-(Methylthio)benzothiazole (reacID# r1286)
  • 2-(Methylthio)benzothiazole -----> 2-(Methylsulfinyl)benzothiazole (reacID# r1287)
• 2-(Methylsulfinyl)benzothiazole (compID# c1127)
  • 2-(Methylthio)benzothiazole -----> 2-(Methylsulfinyl)benzothiazole (reacID# r1287)
• Benzothiazole (compID# c1128)
  • 2-Mercaptobenzothiazole -----> Benzothiazole (reacID# r1288)
  • Benzothiazole -----> 2-Hydroxybenzothiazole (reacID# r1292)
• Benzothiazole-2-sulfonate (compID# c1129)
  • 2-Mercaptobenzothiazole -----> Benzothiazole-2-sulfonate (reacID# r1289)
  • Benzothiazole-2-sulfonate -----> 2-Hydroxybenzothiazole (reacID# r1290)
• 2-Hydroxybenzothiazole (compID# c1130)
  • Benzothiazole-2-sulfonate -----> 2-Hydroxybenzothiazole (reacID# r1290)
  • Benzothiazole -----> 2-Hydroxybenzothiazole (reacID# r1292)
  • 2-Hydroxybenzothiazole -----> 2,6-Dihydroxybenzothiazole (reacID# r1291)
• 2,6-Dihydroxybenzothiazole (compID# c1131)
  • 2-Hydroxybenzothiazole -----> 2,6-Dihydroxybenzothiazole (reacID# r1291)
  • 2,6-Dihydroxybenzothiazole -----> 2,6,7-Trihydroxybenzothiazole (reacID# r1294)
• 2,2'-Dithio-bis-benzothiazole (compID# c1132)
  • 2-Mercaptobenzothiazole -----> 2,2'-Dithio-bis-benzothiazole (reacID# r1293)
• 2,6,7-Trihydroxybenzothiazole (compID# c1133)
  • 2,6-Dihydroxybenzothiazole -----> 2,6,7-Trihydroxybenzothiazole (reacID# r1294)
  • 2,6,7-Trihydroxybenzothiazole -----> 4-[2-Carboxylatovinyl]-2-hydroxythiazole-5-carboxylate (reacID# r1295)
• 4-[2-Carboxylatovinyl]-2-hydroxythiazole-5-carboxylate (compID# c1134)
  • 2,6,7-Trihydroxybenzothiazole -----> 4-[2-Carboxylatovinyl]-2-hydroxythiazole-5-carboxylate (reacID# r1295)
  • 4-[2-Carboxylatovinyl]-2-hydroxythiazole-5-carboxylate -----> Carbon Dioxide (reacID# r1301)
• 5-Methylhex-4-enoyl-CoA (compID# c1136)
  • 7-Methyl-3-oxo-6-octenoyl-CoA -----> 5-Methylhex-4-enoyl-CoA (reacID# r1302)
  • 5-Methylhex-4-enoyl-CoA -----> (2E)-5-Methylhexa-2,4-dienoyl-CoA (reacID# r1303)
• (2E)-5-Methylhexa-2,4-dienoyl-CoA (compID# c1137)
  • 5-Methylhex-4-enoyl-CoA -----> (2E)-5-Methylhexa-2,4-dienoyl-CoA (reacID# r1303)
  • (2E)-5-Methylhexa-2,4-dienoyl-CoA -----> 3-Hydroxy-5-methylhex-4-enoyl-CoA (reacID# r1304)
• 3-Hydroxy-5-methylhex-4-enoyl-CoA (compID# c1138)
  • (2E)-5-Methylhexa-2,4-dienoyl-CoA -----> 3-Hydroxy-5-methylhex-4-enoyl-CoA (reacID# r1304)
  • 3-Hydroxy-5-methylhex-4-enoyl-CoA -----> 5-Methyl-3-oxo-4-hexenoyl-CoA (reacID# r1305)
• 5-Methyl-3-oxo-4-hexenoyl-CoA (compID# c1139)
  • 3-Hydroxy-5-methylhex-4-enoyl-CoA -----> 5-Methyl-3-oxo-4-hexenoyl-CoA (reacID# r1305)
  • 5-Methyl-3-oxo-4-hexenoyl-CoA -----> 3-Methylcrotonyl-CoA (reacID# r1306)
• 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA (compID# c1140)
  • 2,4,4-Trimethylpent-2-enoyl-CoA -----> 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA (reacID# r1277)
  • 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA -----> 2,4,4-Trimethyl-3-oxopentanoyl-CoA (reacID# r1273)
• 2,4,4-Trimethyl-3-oxopentanoyl-CoA (compID# c1141)
  • 2,4,4-Trimethyl-3-hydroxypentanoyl-CoA -----> 2,4,4-Trimethyl-3-oxopentanoyl-CoA (reacID# r1273)
  • 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Propanoyl-CoA + Pivalyl-CoA (reacID# r1274)
  • 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> 2,4,4-Trimethyl-3-oxopentanoate (reacID# r1307)
• trans-Geranyl-CoA (compID# c1144)
  • Geranylate -----> trans-Geranyl-CoA (reacID# r1165)
  • trans-Geranyl-CoA -----> cis-Geranyl-CoA (reacID# r1310)
• Thiobenzamide S,S-dioxide (compID# c1147)
  • Thiobenzamide S-oxide -----> Thiobenzamide S,S-dioxide (reacID# r1316)
  • Thiobenzamide S,S-dioxide -----> Benzonitrile (reacID# r1317)
• Thiobenzamide S-oxide (compID# c1146)
  • Thiobenzamide -----> Thiobenzamide S-oxide (reacID# r1311)
  • Thiobenzamide S-oxide -----> Thiobenzamide S,S-dioxide (reacID# r1316)
• Thiobenzamide (compID# c1145)
  • Thiobenzamide -----> Thiobenzamide S-oxide (reacID# r1311)
• Thioacetamide (compID# c1148)
  • Thioacetamide -----> Thioacetamide S-oxide (reacID# r1312)
• Thioacetamide S-oxide (compID# c1149)
  • Thioacetamide -----> Thioacetamide S-oxide (reacID# r1312)
  • Thioacetamide S-oxide -----> Thioacetamide S,S-dioxide (reacID# r1313)
• Thioacetamide S,S-dioxide (compID# c1150)
  • Thioacetamide S-oxide -----> Thioacetamide S,S-dioxide (reacID# r1313)
  • Thioacetamide S,S-dioxide -----> Acetonitrile (reacID# r1314)
• Acetonitrile (compID# c1151)
  • Thioacetamide S,S-dioxide -----> Acetonitrile (reacID# r1314)
  • Acetonitrile -----> Acetamide (reacID# r1315)
• Theophylline (compID# c1152)
  • Caffeine -----> Theophylline (reacID# r1324)
  • Theophylline -----> 3-Methylxanthine (reacID# r1325)
  • Theophylline -----> 1-Methylxanthine (reacID# r1327)
• 1,3,7-Trimethyluric acid (compID# c1153)
  • Caffeine -----> 1,3,7-Trimethyluric acid (reacID# r1321)
  • 1,3,7-Trimethyluric acid -----> 3,6,8-Trimethylallantoin (reacID# r1322)
• Isonicotinamide (compID# c1173)
  • Isoniazid -----> Isonicotinamide (reacID# r1334)
  • Isonicotinamide -----> Isonicotinate (reacID# r1346)
• 3,6,8-Trimethylallantoin (compID# c1154)
  • 1,3,7-Trimethyluric acid -----> 3,6,8-Trimethylallantoin (reacID# r1322)
  • 3,6,8-Trimethylallantoin -----> Glyoxylate + N,N'-Dimethylurea + N-Methylurea (reacID# r1323)
• N,N'-Dimethylurea (compID# c1155)
  • 3,6,8-Trimethylallantoin -----> Glyoxylate + N,N'-Dimethylurea + N-Methylurea (reacID# r1323)
• 3-Methylxanthine (compID# c1156)
  • Theobromine -----> 3-Methylxanthine (reacID# r1319)
  • Theophylline -----> 3-Methylxanthine (reacID# r1325)
  • 3-Methylxanthine -----> Xanthine (reacID# r1329)
• 1-Methylxanthine (compID# c1157)
  • Paraxanthine -----> 1-Methylxanthine (reacID# r1320)
  • Theophylline -----> 1-Methylxanthine (reacID# r1327)
  • 1-Methylxanthine -----> Xanthine (reacID# r1331)
• 4-Aminocatechol (compID# c1390)
  • 3-Hydroxyaminophenol -----> 4-Aminocatechol (reacID# r1607)
  • 4-Aminocatechol -----> 1,2,4-Benzenetriol (reacID# r1608)
• Isoniazid (compID# c1161)
  • Isoniazid -----> N-Acetylisoniazid (reacID# r1333)
  • Isoniazid -----> Isonicotinamide (reacID# r1334)
  • Isoniazid -----> Pyridine-4-carboxaldehyde (reacID# r1335)
  • Isoniazid -----> Isonicotinate (reacID# r1336)
• Pyridine-4-carboxaldehyde (compID# c1163)
  • Isoniazid -----> Pyridine-4-carboxaldehyde (reacID# r1335)
• Isonicotinate (compID# c1164)
  • Isoniazid -----> Isonicotinate (reacID# r1336)
  • Isonicotinamide -----> Isonicotinate (reacID# r1346)
  • Isonicotinate -----> 2-Hydroxyisonicotinate (reacID# r1337)
• 2-Hydroxyisonicotinate (compID# c1165)
  • Isonicotinate -----> 2-Hydroxyisonicotinate (reacID# r1337)
  • 2-Hydroxyisonicotinate -----> Citrazinate (reacID# r1338)
• Citrazinate (compID# c1166)
  • 2-Hydroxyisonicotinate -----> Citrazinate (reacID# r1338)
  • Citrazinate -----> 2,3,6-Trihydroxyisonicotinate (reacID# r1339)
  • Citrazinate -----> Maleamate (reacID# r1342)
  • Citrazinate -----> cis-Aconitamide (reacID# r1343)
  • Citrazinate -----> Succinic semialdehyde (reacID# r1345)
• 2,3,6-Trihydroxyisonicotinate (compID# c1167)
  • Citrazinate -----> 2,3,6-Trihydroxyisonicotinate (reacID# r1339)
  • 2,3,6-Trihydroxyisonicotinate -----> 2,3,6-Trihydroxypyridine (reacID# r1340)
• cis-Aconitamide (compID# c1168)
  • Citrazinate -----> cis-Aconitamide (reacID# r1343)
  • cis-Aconitamide -----> cis-Aconitate (reacID# r1344)
• N-Acetylisoniazid (compID# c1170)
  • Isoniazid -----> N-Acetylisoniazid (reacID# r1333)
• N-Acetylanthranilate (compID# c1272)
  • 2-Methylquinoline-3,4-diol -----> N-Acetylanthranilate (reacID# r1473)
  • N-Acetylanthranilate -----> 2-Aminobenzoate (reacID# r1474)
• 2-Methylquinoline-3,4-diol (compID# c1271)
  • 1H-4-Oxoquinaldine -----> 2-Methylquinoline-3,4-diol (reacID# r1472)
  • 2-Methylquinoline-3,4-diol -----> N-Acetylanthranilate (reacID# r1473)
• N-Methylurea (compID# c1176)
  • 3,6,8-Trimethylallantoin -----> Glyoxylate + N,N'-Dimethylurea + N-Methylurea (reacID# r1323)
• N-Nitrosodimethylamine (compID# c1198)
  • N-Nitrosodimethylamine -----> N-Nitrodimethylamine (reacID# r1363)
• N-Nitrodimethylamine (compID# c1199)
  • N-Nitrosodimethylamine -----> N-Nitrodimethylamine (reacID# r1363)
  • N-Nitrodimethylamine -----> Formaldehyde + N-Nitromethylamine (reacID# r1395)
• N-Nitromethylamine (compID# c1200)
  • N-Nitrodimethylamine -----> Formaldehyde + N-Nitromethylamine (reacID# r1395)
• 4-Hydroxypyridine (compID# c1201)
  • 4-Hydroxypyridine -----> Pyridine-3,4-diol (reacID# r1397)
• Pyridine-3,4-diol (compID# c1210)
  • 4-Hydroxypyridine -----> Pyridine-3,4-diol (reacID# r1397)
  • Pyridine-3,4-diol -----> 3-(N-Formyl)-formiminopyruvate (reacID# r1398)
• 3-(N-Formyl)-formiminopyruvate (compID# c1211)
  • Pyridine-3,4-diol -----> 3-(N-Formyl)-formiminopyruvate (reacID# r1398)
  • 3-(N-Formyl)-formiminopyruvate -----> Formate + 3-Formiminopyruvate (reacID# r1399)
• 3-Formiminopyruvate (compID# c1212)
  • 3-(N-Formyl)-formiminopyruvate -----> Formate + 3-Formiminopyruvate (reacID# r1399)
  • 3-Formiminopyruvate -----> 3-Formylpyruvate (reacID# r1400)
• Hexadecyltrimethylammonium chloride (compID# c1214)
  • Hexadecyltrimethylammonium chloride -----> Trimethylamine + Hexadecanal (reacID# r1373)
• 1H-4-Oxoquinaldine (compID# c1269)
  • Quinaldine -----> 1H-4-Oxoquinaldine (reacID# r1471)
  • 1H-4-Oxoquinaldine -----> 2-Methylquinoline-3,4-diol (reacID# r1472)
• Trimethylamine (compID# c1215)
  • Hexadecyltrimethylammonium chloride -----> Trimethylamine + Hexadecanal (reacID# r1373)
  • Trimethylamine -----> Formaldehyde + Dimethylamine (reacID# r1378)
  • Trimethylamine -----> Trimethylamine N-oxide (reacID# r1407)
• Hexadecanoyl-CoA (compID# c1218)
  • Hexadecanal -----> Hexadecanoyl-CoA (reacID# r1374)
  • Hexadecanoate -----> Hexadecanoyl-CoA (reacID# r1408)
• Trimethylamine N-oxide (compID# c1219)
  • Trimethylamine -----> Trimethylamine N-oxide (reacID# r1407)
  • Trimethylamine N-oxide -----> Formaldehyde + Dimethylamine (reacID# r1409)
• 4-Pyridoxate (compID# c1295)
  • 4-Pyridoxolactone -----> 4-Pyridoxate (reacID# r1518)
  • Pyridoxal -----> 4-Pyridoxate (reacID# r1519)
  • 4-Pyridoxate -----> 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate (reacID# r1520)
• Dimethylamine (compID# c1221)
  • Trimethylamine -----> Formaldehyde + Dimethylamine (reacID# r1378)
  • Trimethylamine N-oxide -----> Formaldehyde + Dimethylamine (reacID# r1409)
  • Dimethylamine -----> Methylamine + Formaldehyde (reacID# r1380)
• Sulfanilamide (compID# c1264)
  • Asulam -----> Sulfanilamide (reacID# r1457)
  • Sulfanilamide -----> 4-Aminobenzenesulfonate (reacID# r1458)
• Asulam (compID# c1263)
  • Asulam -----> Sulfanilamide (reacID# r1457)
• 5-Hydroxycarbofuran (compID# c1338)
  • Carbofuran -----> 5-Hydroxycarbofuran (reacID# r1551)
• Quinaldine (compID# c1268)
  • Quinaldine -----> 1H-4-Oxoquinaldine (reacID# r1471)
• Toxopyrimidine (compID# c1260)
  • Aminopyrimidine -----> Toxopyrimidine (reacID# r1455)
• Pyridoxal (compID# c1261)
  • Pyridoxamine -----> Pyridoxal (reacID# r1479)
  • Pyridoxine -----> Pyridoxal (reacID# r1516)
  • Pyridoxine -----> Pyridoxal (reacID# r1538)
  • Pyridoxal -----> 4-Pyridoxolactone (reacID# r1517)
  • Pyridoxal -----> 4-Pyridoxate (reacID# r1519)
• Formylaminopyrimidine (compID# c1258)
  • Thiamin -----> Formylaminopyrimidine + 5-Hydroxy-3-sulfanylpentan-2-one (reacID# r1461)
  • Formylaminopyrimidine -----> Aminopyrimidine (reacID# r1454)
• Aminopyrimidine (compID# c1259)
  • Formylaminopyrimidine -----> Aminopyrimidine (reacID# r1454)
  • Aminopyrimidine -----> Toxopyrimidine (reacID# r1455)
• Thiamin (compID# c1257)
  • Thiamin -----> Formylaminopyrimidine + 5-Hydroxy-3-sulfanylpentan-2-one (reacID# r1461)
• Pyridoxamine (compID# c1256)
  • Pyridoxamine -----> Pyridoxal (reacID# r1479)
• 2,5-Dihydroxypyridine (compID# c1250)
  • 6-Hydroxy-3-succinoylpyridine -----> Succinic semialdehyde + 2,5-Dihydroxypyridine (reacID# r1442)
  • 2,5-Dihydroxypyridine -----> Maleamate (reacID# r1443)
• Carbofuran (compID# c1285)
  • Carbofuran -----> Methylamine + Carbofuran-7-phenol (reacID# r1477)
  • Carbofuran -----> 4-Hydroxycarbofuran (reacID# r1540)
  • Carbofuran -----> 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate (reacID# r1541)
  • Carbofuran -----> 3-Hydroxycarbofuran (reacID# r1549)
  • Carbofuran -----> 5-Hydroxycarbofuran (reacID# r1551)
• Carbaryl (compID# c1283)
  • Carbaryl -----> Methylamine + 1-Naphthol (reacID# r1475)
• 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate (compID# c1337)
  • Carbofuran -----> 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate (reacID# r1541)
  • 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate -----> Methylamine + 3-(2-Hydroxy-2-methylpropyl)benzene-1,2-diol (reacID# r1542)
• 4-Pyridoxolactone (compID# c1303)
  • Pyridoxal -----> 4-Pyridoxolactone (reacID# r1517)
  • 4-Pyridoxolactone -----> 4-Pyridoxate (reacID# r1518)
• 2-Nitrophenol (compID# c1322)
  • 2-Nitrophenol -----> Catechol (reacID# r1494)
• Pyridoxine (compID# c1302)
  • Pyridoxine -----> Pyridoxal (reacID# r1516)
  • Pyridoxine -----> Isopyridoxal (reacID# r1525)
  • Pyridoxine -----> Pyridoxal (reacID# r1538)
• Metamitron (compID# c1296)
  • Metamitron -----> 2-(Acetylhydrazinylidene)-2-phenylacetate (reacID# r1509)
  • Metamitron -----> 1,2-Dihydrodihydroxymetamitron (reacID# r1511)
• 2-(Acetylhydrazinylidene)-2-phenylacetate (compID# c1297)
  • Metamitron -----> 2-(Acetylhydrazinylidene)-2-phenylacetate (reacID# r1509)
  • 2-(Acetylhydrazinylidene)-2-phenylacetate -----> Benzoylformate (reacID# r1510)
• 1,2-Dihydrodihydroxymetamitron (compID# c1298)
  • Metamitron -----> 1,2-Dihydrodihydroxymetamitron (reacID# r1511)
  • 1,2-Dihydrodihydroxymetamitron -----> 1,2-Dihydroxymetamitron (reacID# r1512)
• 1,2-Dihydroxymetamitron (compID# c1299)
  • 1,2-Dihydrodihydroxymetamitron -----> 1,2-Dihydroxymetamitron (reacID# r1512)
  • 1,2-Dihydroxymetamitron -----> 3-Methyl-4-amino-6-(2-hydroxymuconate)-1,2,4-triazin-5(4H)one (reacID# r1513)
• 3-Methyl-4-amino-6-(2-hydroxymuconate)-1,2,4-triazin-5(4H)one (compID# c1300)
  • 1,2-Dihydroxymetamitron -----> 3-Methyl-4-amino-6-(2-hydroxymuconate)-1,2,4-triazin-5(4H)one (reacID# r1513)
  • 3-Methyl-4-amino-6-(2-hydroxymuconate)-1,2,4-triazin-5(4H)one -----> 2-Hydroxymuconate + 3-Methyl-4-amino-1,2,4-triazin-5(4H)one (reacID# r1515)
• 3-Methyl-4-amino-1,2,4-triazin-5(4H)one (compID# c1301)
  • 3-Methyl-4-amino-6-(2-hydroxymuconate)-1,2,4-triazin-5(4H)one -----> 2-Hydroxymuconate + 3-Methyl-4-amino-1,2,4-triazin-5(4H)one (reacID# r1515)
• 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate (compID# c1304)
  • 4-Pyridoxate -----> 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate (reacID# r1520)
  • 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate -----> 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate (reacID# r1521)
• 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate (compID# c1305)
  • 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate -----> 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate (reacID# r1521)
  • 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate -----> 3-Hydroxy-2-methylpyridine-5-carboxylate (reacID# r1522)
• 3-Hydroxy-2-methylpyridine-5-carboxylate (compID# c1306)
  • 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate -----> 3-Hydroxy-2-methylpyridine-5-carboxylate (reacID# r1522)
  • 3-Hydroxy-2-methylpyridine-5-carboxylate -----> 2-(Acetamidomethylene)succinate (reacID# r1523)
• 2-(Acetamidomethylene)succinate (compID# c1307)
  • 3-Hydroxy-2-methylpyridine-5-carboxylate -----> 2-(Acetamidomethylene)succinate (reacID# r1523)
  • 2-(Acetamidomethylene)succinate -----> Succinic semialdehyde + Acetate (reacID# r1524)
• Isopyridoxal (compID# c1308)
  • Pyridoxine -----> Isopyridoxal (reacID# r1525)
  • Isopyridoxal -----> 5-Pyridoxolactone (reacID# r1526)
• 5-Pyridoxolactone (compID# c1309)
  • Isopyridoxal -----> 5-Pyridoxolactone (reacID# r1526)
  • 5-Pyridoxolactone -----> 5-Pyridoxate (reacID# r1527)
• 5-Pyridoxate (compID# c1310)
  • 5-Pyridoxolactone -----> 5-Pyridoxate (reacID# r1527)
  • 5-Pyridoxate -----> 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate (reacID# r1528)
• 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate (compID# c1311)
  • 5-Pyridoxate -----> 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate (reacID# r1528)
  • 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate -----> Acetate + 2-Hydroxymethylsuccinate semialdehyde (reacID# r1529)
• 2,4-Dinitrotoluene (compID# c1313)
  • 2,4-Dinitrotoluene -----> 4-Methyl-5-nitrocatechol (reacID# r1501)
  • 2,4-Dinitrotoluene -----> 2-Amino-4-nitrotoluene (reacID# r1543)
  • 2,4-Dinitrotoluene -----> 4-Amino-2-nitrotoluene (reacID# r1544)
• 4-Methyl-5-nitrocatechol (compID# c1314)
  • 2,4-Dinitrotoluene -----> 4-Methyl-5-nitrocatechol (reacID# r1501)
  • 4-Methyl-5-nitrocatechol -----> 2-Hydroxy-5-methylquinone (reacID# r1502)
• 3-Nitrophenol (compID# c1323)
  • 3-Nitrophenol -----> 3-Hydroxyaminophenol (reacID# r1495)
• 3-Hydroxyaminophenol (compID# c1324)
  • 3-Nitrophenol -----> 3-Hydroxyaminophenol (reacID# r1495)
  • 3-Hydroxyaminophenol -----> Aminohydroquinone (reacID# r1496)
  • 3-Hydroxyaminophenol -----> 4-Aminocatechol (reacID# r1607)
• Aminohydroquinone (compID# c1325)
  • 3-Hydroxyaminophenol -----> Aminohydroquinone (reacID# r1496)
  • Aminohydroquinone -----> 1,2,4-Benzenetriol (reacID# r1497)
• Morpholine (compID# c1329)
  • N-Methylmorpholine -----> Formaldehyde + Morpholine (reacID# r1570)
  • Morpholine -----> 2-Hydroxymorpholine (reacID# r1530)
• 2-Hydroxymorpholine (compID# c1330)
  • Morpholine -----> 2-Hydroxymorpholine (reacID# r1530)
  • 2-Hydroxymorpholine -----> 2-(2-Aminoethoxy)acetaldehyde (reacID# r1531)
• 2-(2-Aminoethoxy)acetaldehyde (compID# c1331)
  • 2-Hydroxymorpholine -----> 2-(2-Aminoethoxy)acetaldehyde (reacID# r1531)
  • 2-(2-Aminoethoxy)acetaldehyde -----> 2-(2-Aminoethoxy)acetate (reacID# r1532)
• 2-(2-Aminoethoxy)acetate (compID# c1332)
  • 2-(2-Aminoethoxy)acetaldehyde -----> 2-(2-Aminoethoxy)acetate (reacID# r1532)
  • 2-(2-Aminoethoxy)acetate -----> Diglycolate (reacID# r1533)
• 4-Amino-2-nitrotoluene (compID# c1339)
  • 2,4-Dinitrotoluene -----> 4-Amino-2-nitrotoluene (reacID# r1544)
  • 4-Amino-2-nitrotoluene -----> 2,4-Diaminotoluene (reacID# r1547)
• 2,4-Diaminotoluene (compID# c1340)
  • 2-Amino-4-nitrotoluene -----> 2,4-Diaminotoluene (reacID# r1546)
  • 4-Amino-2-nitrotoluene -----> 2,4-Diaminotoluene (reacID# r1547)
  • 2,4-Diaminotoluene -----> Carbon Dioxide (reacID# r1552)
• 3-Ketocarbofuran (compID# c1343)
  • 3-Hydroxycarbofuran -----> 3-Ketocarbofuran (reacID# r1550)
• 3-Hydroxycarbofuran (compID# c1342)
  • Carbofuran -----> 3-Hydroxycarbofuran (reacID# r1549)
  • 3-Hydroxycarbofuran -----> 3-Ketocarbofuran (reacID# r1550)
• N,N-Diethyl-m-toluamide (compID# c1352)
  • N,N-Diethyl-m-toluamide -----> m-Methylbenzoate + Diethylamine (reacID# r1566)
• N-Oleoyl-N-methyltaurine (compID# c1358)
• N-Methyltaurine (compID# c1360)
• 3-Nitrotyramine (compID# c1364)
  • 3-Nitrotyramine -----> 4-Hydroxy-3-nitrophenylacetaldehyde (reacID# r1579)
• 4-Hydroxy-3-nitrophenylacetaldehyde (compID# c1365)
  • 3-Nitrotyramine -----> 4-Hydroxy-3-nitrophenylacetaldehyde (reacID# r1579)
  • 4-Hydroxy-3-nitrophenylacetaldehyde -----> 4-Hydroxy-3-nitrophenylacetate (reacID# r1580)
• 4-Hydroxy-3-nitrophenylacetate (compID# c1366)
  • 4-Hydroxy-3-nitrophenylacetaldehyde -----> 4-Hydroxy-3-nitrophenylacetate (reacID# r1580)
  • 4-Hydroxy-3-nitrophenylpyruvate -----> 4-Hydroxy-3-nitrophenylacetate (reacID# r1599)
  • 4-Hydroxy-3-nitrophenylacetate -----> 3,4-Dihydroxyphenylacetate (reacID# r1597)
• N-Methylmorpholine-N-oxide (compID# c1367)
  • N-Methylmorpholine-N-oxide -----> N-Methylmorpholine (reacID# r1569)
• N-Methylmorpholine (compID# c1368)
  • N-Methylmorpholine-N-oxide -----> N-Methylmorpholine (reacID# r1569)
  • N-Methylmorpholine -----> Formaldehyde + Morpholine (reacID# r1570)
• 3-Sulfinopropionate-CoA (compID# c1375)
  • 3-Sulfinopropionate -----> 3-Sulfinopropionate-CoA (reacID# r1583)
  • 3-Sulfinopropionate-CoA -----> Propanoyl-CoA (reacID# r1584)
• 2,6-Dichlorobenzonitrile (compID# c1376)
  • 2,6-Dichlorobenzonitrile -----> 2,6-Dichlorobenzamide (reacID# r1585)
• 2,6-Dichlorobenzamide (compID# c1377)
  • 2,6-Dichlorobenzonitrile -----> 2,6-Dichlorobenzamide (reacID# r1585)
  • 2,6-Dichlorobenzamide -----> 2,6-Dichlorobenzoate (reacID# r1586)
  • 2,6-Dichlorobenzamide -----> 2-Chlorobenzamide (reacID# r1606)
• 2-Chlorobenzamide (compID# c1389)
  • 2,6-Dichlorobenzamide -----> 2-Chlorobenzamide (reacID# r1606)
  • 2-Chlorobenzamide -----> 2-Chlorobenzoate (reacID# r1605)
• Diethylamine (compID# c1380)
  • N,N-Diethyl-m-toluamide -----> m-Methylbenzoate + Diethylamine (reacID# r1566)
  • Diethylamine -----> Acetaldehyde + Ethyl amine (reacID# r1589)
• 4-Hydroxy-3-nitrophenylpyruvate (compID# c1382)
  • 3-Nitrotyrosine -----> 4-Hydroxy-3-nitrophenylpyruvate (reacID# r1598)
  • 4-Hydroxy-3-nitrophenylpyruvate -----> 4-Hydroxy-3-nitrophenylacetate (reacID# r1599)
• 3-Nitrotyrosine (compID# c1381)
  • 3-Nitrotyrosine -----> 4-Hydroxy-3-nitrophenylpyruvate (reacID# r1598)

This page was generated on November 24, 2009 10:28:31 PM CST.

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