EAWAG-BBD: Search Results

EAWAG-BBD Search Results

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Your query returned 619 hits! Here are the results of your compound element search for N.

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)
- 4-Hydroxylamino-2,6-dinitrotoluene + 2-Hydroxylamino-4,6-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 -----> Acetyl-CoA + Isobutyryl-CoA (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 -----> Benzoyl-CoA + Succinyl-CoA (reacID# r0332)
- 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
- Naphthyl-2-oxomethyl-succinyl-CoA -----> 2-Naphthoyl-CoA + Succinyl-CoA (reacID# r1261)
- 3,4-Dehydroadipyl-CoA -----> Acetyl-CoA + Succinyl-CoA (reacID# r1750)
(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 -----> cis-2-Hydroxypenta-2,4-dienoate + 2-Aminobenzoate (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 + Coenzyme A -----> Acetyl-CoA (reacID# r0201)
- Benzoyl acetyl-CoA -----> Acetyl-CoA + Benzoyl-CoA (reacID# r0243)
- delta^2,5-3,4,4-Trimethylpimelyl-CoA -----> Acetyl-CoA + Isobutyryl-CoA (reacID# r0431)
- Coenzyme A + Ethylene Oxide -----> Acetyl-CoA (reacID# r0595)
- 4-Methyl-3-oxooctanoyl-CoA -----> 2-Methylhexanoyl-CoA + Acetyl-CoA (reacID# r0927)
- 3-Oxoadipyl-CoA -----> Acetyl-CoA + Succinyl-CoA (reacID# r1051)
- 3-Oxo-5,6-dehydrosuberyl-CoA -----> 5-Carboxy-2-pentenoyl-CoA + Acetyl-CoA (reacID# r1733)
- 3,4-Dehydroadipyl-CoA -----> Acetyl-CoA + Succinyl-CoA (reacID# r1750)
- Isoniazid + Acetyl-CoA -----> N-Acetylisoniazid (reacID# r1333)
- Aminonitrofen + Acetyl-CoA -----> N-acetylaminonitrofen (reacID# r1626)
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 -----> Diethylphosphoric acid + p-Nitrophenol (reacID# r0067)
- Nitrofen -----> p-Nitrophenol + 2,4-Dichlorophenol (reacID# r1630)
- 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)
- 4-Hydroxylamino-2,6-dinitrotoluene + 2-Hydroxylamino-4,6-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 + Coenzyme A -----> 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 -----> bis(Hydroxymethyl)nitramine + Methylenedinitramine (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 -----> Formaldehyde + Methylamine (reacID# r1380)
- Carbaryl -----> 1-Naphthol + Methylamine (reacID# r1475)
- Carbofuran -----> Carbofuran-7-phenol + Methylamine (reacID# r1477)
- 2-Hydroxy-3-(3-methylpropan-2-ol) benzene-N-methylcarbamate -----> Methylamine + 3-(2-Hydroxy-2-methylpropyl)benzene-1,2-diol (reacID# r1542)
- N-Methyltaurine -----> Methylamine + Sulfoacetaldehyde (reacID# r1565)
- 4-Methylaminobutyrate -----> Methylamine + Succinic semialdehyde (reacID# r1828)
- 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)
- 4-Methylaminobutyrate -----> Formaldehyde + 4-aminobutanoate (reacID# r1827)
- 4-Methylaminobutyrate -----> Succinic semialdehyde + Methylamine (reacID# r1828)
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)
- N-Formylmaleamate -----> Formate + Maleamate (reacID# r1721)
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 -----> 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-Acetamidophenol -----> Acetate + p-Aminophenol (reacID# r1629)
- 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 -----> Ethyl amine + Cyanuric acid (reacID# r0122)
- N-Cyclopropylammelide -----> Cyclopropylamine + Cyanuric acid (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 -----> 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 -----> Formaldehyde + Nitramine (reacID# r1035)
- Hydroxymethylnitramine -----> Formaldehyde + Nitramine (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 -----> Benzoyl-CoA + Acetyl-CoA (reacID# r0243)
- (Hydroxymethylphenyl)succinyl-CoA -----> Benzoyl-CoA + Succinyl-CoA (reacID# r0332)
- 2-Aminobenzoyl-CoA -----> Benzoyl-CoA (reacID# r0342)
- Benzoyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0190)
- Benzoyl-CoA -----> 2,3-Epoxybenzoyl-CoA (reacID# r1746)
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 -----> 2-Hydroxy-1,4-benzoquinone (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-Sulfophenol (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)
Butyryl-CoA (compID# c0023)
- Crotonoyl-CoA -----> Butyryl-CoA (reacID# r0013)
- 2-Methyl-3-oxohexanoyl-CoA -----> Butyryl-CoA + Propanoyl-CoA (reacID# r0931)
- Butyryl-CoA -----> Butyrate (reacID# r0012)
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 Pentamer + 6-Aminohexanoate (reacID# r1086)
- 6-Aminohexanoate Pentamer -----> 6-Aminohexanoate Tetramer + 6-Aminohexanoate (reacID# r1093)
- 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 -----> 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 -----> 3-Isopropylbut-3-enoyl-CoA + Propanoyl-CoA (reacID# r0987)
- 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Pivalyl-CoA + Propanoyl-CoA (reacID# r1274)
- 3-Sulfinopropionate-CoA -----> Propanoyl-CoA (reacID# r1584)
- cis-1,2-Diol-2-hydroibuprofen-CoA -----> Propanoyl-CoA + Isobutylcatechol (reacID# r1736)
Iminodiacetate (compID# c0558)
- Nitrilotriacetate -----> Glyoxylate + Iminodiacetate (reacID# r0587)
- Nitrilotriacetate -----> Iminodiacetate + Glyoxylate (reacID# r0588)
- Iminodiacetate -----> Glycine + Glyoxylate (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 -----> Nitrous oxide (reacID# r0878)
- Nitramine -----> Nitrous oxide (reacID# r1037)
- Nitric oxide -----> Nitrous oxide (reacID# r1820)
- Nitrous oxide -----> Nitrogen (reacID# r1821)
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)
N-Formylmaleamate (compID# c1484)
- 2,5-Dihydroxypyridine -----> N-Formylmaleamate (reacID# r1443)
- N-Formylmaleamate -----> Formate + Maleamate (reacID# r1721)
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 -----> Didemethylisoproturon + Formaldehyde (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 -----> Carbamate + 4'-(2-Hydroxyisopropyl)phenylaniline (reacID# r0895)
4'-(2-Hydroxyisopropyl)phenylaniline (compID# c0814)
- 4'-(2-Hydroxyisopropyl)phenylurea -----> Carbamate + 4'-(2-Hydroxyisopropyl)phenylaniline (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 -----> Carbamate + 4-Isopropylaniline (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)
- Pyruvate + (2-Methylhexyl)malonyl-CoA -----> 4-Methyloctanoyl-CoA + Oxaloacetate (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)
- 4-Nitro-2,4-diazabutanal -----> Carbon Dioxide (reacID# r1624)
(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 -----> Coenzyme A + 1,4-Cyclohexanedione (reacID# r0584)
- Coenzyme A + Acetoacetyl-CoA -----> Acetyl-CoA (reacID# r0201)
- Coenzyme A + Ethylene Oxide -----> Acetyl-CoA (reacID# r0595)
4-Methyloctanoyl-CoA (compID# c0833)
- Pyruvate + (2-Methylhexyl)malonyl-CoA -----> 4-Methyloctanoyl-CoA + Oxaloacetate (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 -----> Ethyl amine + N-Isopropylammelide (reacID# r0114)
- 2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine -----> Ethyl amine + Cyanuric acid (reacID# r0122)
- Diethylamine -----> Ethyl amine + Acetaldehyde (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)
- 3-Oxo-5,6-dehydrosuberyl-CoA -----> Acetyl-CoA + 5-Carboxy-2-pentenoyl-CoA (reacID# r1733)
- 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)
- Acetyl-CoA + 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)
- Acetyl-CoA + 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 -----> Dimethylamine + Formaldehyde (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 -----> Dimethylamine + Formaldehyde (reacID# r1378)
- Trimethylamine N-oxide -----> Dimethylamine + Formaldehyde (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 -----> N-Formylmaleamate (reacID# r1443)
Carbofuran (compID# c1285)
- Carbofuran -----> Carbofuran-7-phenol + Methylamine (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-(2-Aminoethoxy)acetaldehyde (reacID# r1530)
2-(2-Aminoethoxy)acetaldehyde (compID# c1331)
- Morpholine -----> 2-(2-Aminoethoxy)acetaldehyde (reacID# r1530)
- 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,N-Diethyl-m-toluamide -----> m-Toluamide (reacID# r1837)
- N,N-Diethyl-m-toluamide -----> N,N-diethyl-3-(hydroxymethyl)benzamide (reacID# r1838)
N-Oleoyl-N-methyltaurine (compID# c1358)
- N-Oleoyl-N-methyltaurine -----> Oleate + N-Methyltaurine (reacID# r1564)
N-Methyltaurine (compID# c1360)
- N-Oleoyl-N-methyltaurine -----> Oleate + N-Methyltaurine (reacID# r1564)
- N-Methyltaurine -----> Methylamine + Sulfoacetaldehyde (reacID# r1565)
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)
Nitrofen (compID# c1402)
- Nitrofen -----> Aminonitrofen (reacID# r1625)
- Nitrofen -----> p-Nitrophenol + 2,4-Dichlorophenol (reacID# r1630)
Aminonitrofen (compID# c1403)
- Nitrofen -----> Aminonitrofen (reacID# r1625)
- Acetyl-CoA + Aminonitrofen -----> N-acetylaminonitrofen (reacID# r1626)
N-acetylaminonitrofen (compID# c1404)
- Acetyl-CoA + Aminonitrofen -----> N-acetylaminonitrofen (reacID# r1626)
- N-acetylaminonitrofen -----> 2,4-Dichlorophenol + p-Acetamidophenol (reacID# r1627)
p-Acetamidophenol (compID# c1405)
- N-acetylaminonitrofen -----> 2,4-Dichlorophenol + p-Acetamidophenol (reacID# r1627)
- p-Acetamidophenol -----> p-Aminophenol + Acetate (reacID# r1629)
3-(4-Sulfophenyl)butyrate-CoA (compID# c1438)
- 3-(4-Sulfophenyl)butyrate -----> 3-(4-Sulfophenyl)butyrate-CoA (reacID# r1663)
- 3-(4-Sulfophenyl)butyrate-CoA -----> 3-(4-Sulfophenyl)butyrate enoyl-CoA (reacID# r1664)
N-(2,6-Diethylphenyl)-2-hydroxyacetamide (compID# c1455)
- 2-Hydroxy-2',6'-diethyl-N-acetanilide -----> Formaldehyde + N-(2,6-Diethylphenyl)-2-hydroxyacetamide (reacID# r1694)
- N-(2,6-Diethylphenyl)-2-hydroxyacetamide -----> Glycolate + 2,6-Diethylaniline (reacID# r1695)
Saccharin (compID# c1454)
- Saccharin -----> Catechol (reacID# r1667)
3-(4-Sulfophenyl)butyrate enoyl-CoA (compID# c1439)
- 3-(4-Sulfophenyl)butyrate-CoA -----> 3-(4-Sulfophenyl)butyrate enoyl-CoA (reacID# r1664)
- 3-(4-Sulfophenyl)butyrate enoyl-CoA -----> 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA (reacID# r1665)
3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA (compID# c1440)
- 3-(4-Sulfophenyl)butyrate enoyl-CoA -----> 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA (reacID# r1665)
- 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA -----> 4-Sulfoacetophenone (reacID# r1666)
7-Ethyl-N-methylindole (compID# c1446)
- 2-Ethenyl-6-ethyl-N-methylideneaniline -----> 7-Ethyl-N-methylindole (reacID# r1702)
2,6-Diethylacetanilide (compID# c1445)
8-Ethylquinoline (compID# c1444)
- 2-Ethenyl-6-ethyl-N-methylideneaniline -----> 8-Ethylquinoline (reacID# r1698)
Alachlor (compID# c1441)
- Alachlor -----> Formaldehyde + 2-Chloro-2',6'-diethylacetanilide (reacID# r1677)
- Alachlor -----> 2-Hydroxy-2',6'-diethyl-N-acetanilide (reacID# r1693)
- Alachlor -----> 2,6-Diethyl-N-(methoxymethyl)aniline + Chloroacetate (reacID# r1696)
2-Chloro-2',6'-diethylacetanilide (compID# c1442)
- Alachlor -----> Formaldehyde + 2-Chloro-2',6'-diethylacetanilide (reacID# r1677)
- 2-Chloro-2',6'-diethylacetanilide -----> 1-Chloroacetyl-2,3-dihydro-7-ethylindole (reacID# r1678)
- 2-Chloro-2',6'-diethylacetanilide -----> 2,6-Diethylaniline + Chloroacetate (reacID# r1699)
7-Ethylindole (compID# c1443)
- 1-Chloroacetyl-2,3-dihydro-7-ethylindole -----> Chloroacetate + 7-Ethylindole (reacID# r1679)
N-(2,6-Diethylphenyl)-methyleneamine (compID# c1452)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> N-(2,6-Diethylphenyl)-methyleneamine (reacID# r1704)
- N-(2,6-Diethylphenyl)-methyleneamine -----> 2-Ethenyl-6-ethyl-N-methylideneaniline (reacID# r1703)
7-Ethyl-3-methyl-2-methoxy-2,3-dihydroindole (compID# c1451)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> 7-Ethyl-3-methyl-2-methoxy-2,3-dihydroindole (reacID# r1697)
2,6-Diethyl-N-(methoxymethyl)aniline (compID# c1450)
- Alachlor -----> Chloroacetate + 2,6-Diethyl-N-(methoxymethyl)aniline (reacID# r1696)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> 7-Ethyl-3-methyl-2-methoxy-2,3-dihydroindole (reacID# r1697)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> 2,6-Diethylaniline + Formaldehyde (reacID# r1700)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> N-(2,6-Diethylphenyl)-methyleneamine (reacID# r1704)
2-Hydroxy-2',6'-diethyl-N-acetanilide (compID# c1449)
- Alachlor -----> 2-Hydroxy-2',6'-diethyl-N-acetanilide (reacID# r1693)
- 2-Hydroxy-2',6'-diethyl-N-acetanilide -----> Formaldehyde + N-(2,6-Diethylphenyl)-2-hydroxyacetamide (reacID# r1694)
1-Chloroacetyl-2,3-dihydro-7-ethylindole (compID# c1447)
- 2-Chloro-2',6'-diethylacetanilide -----> 1-Chloroacetyl-2,3-dihydro-7-ethylindole (reacID# r1678)
- 1-Chloroacetyl-2,3-dihydro-7-ethylindole -----> Chloroacetate + 7-Ethylindole (reacID# r1679)
2,6-Diethylaniline (compID# c1448)
- N-(2,6-Diethylphenyl)-2-hydroxyacetamide -----> 2,6-Diethylaniline + Glycolate (reacID# r1695)
- 2-Chloro-2',6'-diethylacetanilide -----> 2,6-Diethylaniline + Chloroacetate (reacID# r1699)
- 2,6-Diethyl-N-(methoxymethyl)aniline -----> 2,6-Diethylaniline + Formaldehyde (reacID# r1700)
2-Ethenyl-6-ethyl-N-methylideneaniline (compID# c1474)
- N-(2,6-Diethylphenyl)-methyleneamine -----> 2-Ethenyl-6-ethyl-N-methylideneaniline (reacID# r1703)
- 2-Ethenyl-6-ethyl-N-methylideneaniline -----> 8-Ethylquinoline (reacID# r1698)
- 2-Ethenyl-6-ethyl-N-methylideneaniline -----> 7-Ethyl-N-methylindole (reacID# r1702)
Isocarbophos (compID# c1478)
- Isocarbophos -----> Isopropyl salicylate + Amino(methoxy) sulfanylidenephosphinite (reacID# r1708)
Amino(methoxy) sulfanylidenephosphinite (compID# c1480)
- Isocarbophos -----> Isopropyl salicylate + Amino(methoxy) sulfanylidenephosphinite (reacID# r1708)
Methamidophos (compID# c1481)
- Methamidophos -----> O,S-Dimethyl hydrogen phosphorothioate (reacID# r1710)
5-Nitroanthranilate (compID# c1485)
- 5-Nitroanthranilate -----> 5-Nitrosalicylate (reacID# r1722)
5-Nitrosalicylate (compID# c1486)
- 5-Nitroanthranilate -----> 5-Nitrosalicylate (reacID# r1722)
- 5-Nitrosalicylate -----> 4-Nitro-6-oxohepta-2,4-dienedioate (reacID# r1723)
4-Nitro-6-oxohepta-2,4-dienedioate (compID# c1487)
- 5-Nitrosalicylate -----> 4-Nitro-6-oxohepta-2,4-dienedioate (reacID# r1723)
Isobutyryl-CoA (compID# c1582)
- delta^2,5-3,4,4-Trimethylpimelyl-CoA -----> Acetyl-CoA + Isobutyryl-CoA (reacID# r0431)
Benomyl (compID# c1537)
- Benomyl -----> Carbendazim + N-Butylcarbamate (reacID# r1772)
1,2-Diaminobenzene (compID# c1548)
- 2-Hydroxybenzimidazole -----> 1,2-Diaminobenzene (reacID# r1778)
- 1,2-Diaminobenzene -----> Catechol (reacID# r1779)
(RS)-alpha-Cyano-3-phenoxybenzyl alcohol (compID# c1547)
- Cypermethrin -----> (RS)-alpha-Cyano-3-phenoxybenzyl alcohol + (1RS)-cis,trans-3-(2,2-Dicholorovinyl)-2,2-dimethylcyclopropanecarboxylate (reacID# r1770)
- (RS)-alpha-Cyano-3-phenoxybenzyl alcohol -----> 3-Phenoxybenzaldehyde (reacID# r1771)
Nitrate (compID# c1580)
- Nitrate -----> Nitrite (reacID# r1812)
- Nitrate -----> Nitrite (reacID# r1814)
- Nitrate -----> Nitrite (reacID# r1815)
- Nitrate -----> Nitrite (reacID# r1816)
Cypermethrin (compID# c1546)
- Cypermethrin -----> (RS)-alpha-Cyano-3-phenoxybenzyl alcohol + (1RS)-cis,trans-3-(2,2-Dicholorovinyl)-2,2-dimethylcyclopropanecarboxylate (reacID# r1770)
1,2-Epoxyphenylacetyl-CoA (compID# c1495)
- Phenylacetyl-CoA -----> 1,2-Epoxyphenylacetyl-CoA (reacID# r1730)
- 1,2-Epoxyphenylacetyl-CoA -----> 2-oxepin-2(3H)-ylideneacetyl-CoA (reacID# r1731)
Phenylacetyl-CoA (compID# c1494)
- Phenylacetate -----> Phenylacetyl-CoA (reacID# r1729)
- Phenylacetyl-CoA -----> 1,2-Epoxyphenylacetyl-CoA (reacID# r1730)
2-oxepin-2(3H)-ylideneacetyl-CoA (compID# c1496)
- 1,2-Epoxyphenylacetyl-CoA -----> 2-oxepin-2(3H)-ylideneacetyl-CoA (reacID# r1731)
- 2-oxepin-2(3H)-ylideneacetyl-CoA -----> 3-Oxo-5,6-dehydrosuberyl-CoA (reacID# r1732)
3-Oxo-5,6-dehydrosuberyl-CoA (compID# c1497)
- 2-oxepin-2(3H)-ylideneacetyl-CoA -----> 3-Oxo-5,6-dehydrosuberyl-CoA (reacID# r1732)
- 3-Oxo-5,6-dehydrosuberyl-CoA -----> Acetyl-CoA + 5-Carboxy-2-pentenoyl-CoA (reacID# r1733)
Ibuprofen-CoA (compID# c1499)
- Ibuprofen -----> Ibuprofen-CoA (reacID# r1734)
- Ibuprofen-CoA -----> cis-1,2-Diol-2-hydroibuprofen-CoA (reacID# r1735)
cis-1,2-Diol-2-hydroibuprofen-CoA (compID# c1500)
- Ibuprofen-CoA -----> cis-1,2-Diol-2-hydroibuprofen-CoA (reacID# r1735)
- cis-1,2-Diol-2-hydroibuprofen-CoA -----> Propanoyl-CoA + Isobutylcatechol (reacID# r1736)
Atropine (compID# c1504)
- Atropine -----> Tropine + Tropate (reacID# r1739)
Tropine (compID# c1505)
- Atropine -----> Tropine + Tropate (reacID# r1739)
- Tropine -----> Formaldehyde + Nortropine (reacID# r1740)
Nortropine (compID# c1506)
- Tropine -----> Formaldehyde + Nortropine (reacID# r1740)
- Nortropine -----> 6-Hydroxycyclohepta-1,4-dione (reacID# r1741)
2,3-Epoxybenzoyl-CoA (compID# c1511)
- Benzoyl-CoA -----> 2,3-Epoxybenzoyl-CoA (reacID# r1746)
- 2,3-Epoxybenzoyl-CoA -----> 3,4-Dehydroadipyl-CoA semialdehyde (reacID# r1747)
3,4-Dehydroadipyl-CoA semialdehyde (compID# c1512)
- 2,3-Epoxybenzoyl-CoA -----> 3,4-Dehydroadipyl-CoA semialdehyde (reacID# r1747)
- 3,4-Dehydroadipyl-CoA semialdehyde -----> 3,4-Dehydroadipyl-CoA (reacID# r1748)
3,4-Dehydroadipyl-CoA (compID# c1513)
- 3,4-Dehydroadipyl-CoA semialdehyde -----> 3,4-Dehydroadipyl-CoA (reacID# r1748)
- 3,4-Dehydroadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1750)
Triazophos (compID# c1519)
- Triazophos -----> Diethylthiophosphoric acid + 1-Phenyl-3-hydroxy-1,2,4-triazole (reacID# r1756)
1-Phenyl-3-hydroxy-1,2,4-triazole (compID# c1520)
- Triazophos -----> Diethylthiophosphoric acid + 1-Phenyl-3-hydroxy-1,2,4-triazole (reacID# r1756)
- 1-Phenyl-3-hydroxy-1,2,4-triazole -----> (E)-1-Formyl-2-phenyldiazene (reacID# r1757)
(E)-1-Formyl-2-phenyldiazene (compID# c1521)
- 1-Phenyl-3-hydroxy-1,2,4-triazole -----> (E)-1-Formyl-2-phenyldiazene (reacID# r1757)
- (E)-1-Formyl-2-phenyldiazene -----> 2-Phenylhydrazinecarboxylate (reacID# r1759)
2-Phenylhydrazinecarboxylate (compID# c1522)
- (E)-1-Formyl-2-phenyldiazene -----> 2-Phenylhydrazinecarboxylate (reacID# r1759)
- 2-Phenylhydrazinecarboxylate -----> Phenylhydrazine (reacID# r1758)
Phenylhydrazine (compID# c1523)
- 2-Phenylhydrazinecarboxylate -----> Phenylhydrazine (reacID# r1758)
Diazepam (compID# c1524)
- Diazepam -----> 7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one (reacID# r1760)
- Diazepam -----> 2-Amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide (reacID# r1763)
7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one (compID# c1525)
- Diazepam -----> 7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one (reacID# r1760)
- 7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one -----> 2-Amino-N-(2-benzoyl-4-chlorophenyl)acetamide (reacID# r1761)
2-Amino-N-(2-benzoyl-4-chlorophenyl)acetamide (compID# c1526)
- 7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2-one -----> 2-Amino-N-(2-benzoyl-4-chlorophenyl)acetamide (reacID# r1761)
- Acetate + 2-Amino-N-(2-benzoyl-4-chlorophenyl)acetamide -----> N-(2-Benzoyl-4-chlorophenyl)-2-acetamidoacetamide (reacID# r1762)
N-(2-Benzoyl-4-chlorophenyl)-2-acetamidoacetamide (compID# c1527)
- Acetate + 2-Amino-N-(2-benzoyl-4-chlorophenyl)acetamide -----> N-(2-Benzoyl-4-chlorophenyl)-2-acetamidoacetamide (reacID# r1762)
2-Amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide (compID# c1528)
- Diazepam -----> 2-Amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide (reacID# r1763)
- Acetate + 2-Amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide -----> N-(2-Benzoyl-4-chlorophenyl)-2-acetamido-N-methylacetamide (reacID# r1764)
N-(2-Benzoyl-4-chlorophenyl)-2-acetamido-N-methylacetamide (compID# c1529)
- Acetate + 2-Amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide -----> N-(2-Benzoyl-4-chlorophenyl)-2-acetamido-N-methylacetamide (reacID# r1764)
Carbendazim (compID# c1538)
- Benomyl -----> Carbendazim + N-Butylcarbamate (reacID# r1772)
- Carbendazim -----> 2-Aminobenzimidazole + Monomethyl carbonate (reacID# r1773)
N-Butylcarbamate (compID# c1539)
- Benomyl -----> Carbendazim + N-Butylcarbamate (reacID# r1772)
- N-Butylcarbamate -----> n-Butylamine (reacID# r1777)
n-Butylamine (compID# c1540)
- N-Butylcarbamate -----> n-Butylamine (reacID# r1777)
2-Aminobenzimidazole (compID# c1541)
- Carbendazim -----> 2-Aminobenzimidazole + Monomethyl carbonate (reacID# r1773)
- 2-Aminobenzimidazole -----> 2-Hydroxybenzimidazole (reacID# r1774)
2-Hydroxybenzimidazole (compID# c1543)
- 2-Aminobenzimidazole -----> 2-Hydroxybenzimidazole (reacID# r1774)
- 2-Hydroxybenzimidazole -----> 2,6,7-Trihydroxybenzimidazole (reacID# r1775)
- 2-Hydroxybenzimidazole -----> 1,2-Diaminobenzene (reacID# r1778)
2,6,7-Trihydroxybenzimidazole (compID# c1544)
- 2-Hydroxybenzimidazole -----> 2,6,7-Trihydroxybenzimidazole (reacID# r1775)
- 2,6,7-Trihydroxybenzimidazole -----> (2Z)-3-(4-Formyl-2-hydroxy-1H-imidazol-5-yl)-2-hydroxyprop-2-enoate (reacID# r1776)
(2Z)-3-(4-Formyl-2-hydroxy-1H-imidazol-5-yl)-2-hydroxyprop-2-enoate (compID# c1545)
- 2,6,7-Trihydroxybenzimidazole -----> (2Z)-3-(4-Formyl-2-hydroxy-1H-imidazol-5-yl)-2-hydroxyprop-2-enoate (reacID# r1776)
(R,R)-Iminodisuccinate (compID# c1570)
- (R,R)-Iminodisuccinate -----> (R,S)-Iminodisuccinate (reacID# r1803)
Cocaine (compID# c1565)
- Cocaine -----> Benzoate + Ecgonine methyl ester (reacID# r1798)
Ecgonine methyl ester (compID# c1566)
- Cocaine -----> Benzoate + Ecgonine methyl ester (reacID# r1798)
- Ecgonine methyl ester -----> Methanol + Ecgonine (reacID# r1799)
Ecgonine (compID# c1567)
- Ecgonine methyl ester -----> Methanol + Ecgonine (reacID# r1799)
- Ecgonine -----> Pseudoecgonine (reacID# r1800)
Pseudoecgonine (compID# c1568)
- Ecgonine -----> Pseudoecgonine (reacID# r1800)
- Pseudoecgonine -----> Pseudoecgonyl-CoA (reacID# r1801)
Pseudoecgonyl-CoA (compID# c1569)
- Pseudoecgonine -----> Pseudoecgonyl-CoA (reacID# r1801)
- Pseudoecgonyl-CoA -----> Carbon Dioxide (reacID# r1802)
(R,S)-Iminodisuccinate (compID# c1571)
- (R,R)-Iminodisuccinate -----> (R,S)-Iminodisuccinate (reacID# r1803)
- (R,S)-Iminodisuccinate -----> (S,S)-Iminodisuccinate (reacID# r1804)
- (R,S)-Iminodisuccinate -----> D-Aspartate + Fumarate (reacID# r1805)
(S,S)-Iminodisuccinate (compID# c1572)
- (R,S)-Iminodisuccinate -----> (S,S)-Iminodisuccinate (reacID# r1804)
- (S,S)-Iminodisuccinate -----> Fumarate + L-Aspartate (reacID# r1806)
D-Aspartate (compID# c1573)
- (R,S)-Iminodisuccinate -----> Fumarate + D-Aspartate (reacID# r1805)
L-Aspartate (compID# c1574)
- (S,S)-Iminodisuccinate -----> Fumarate + L-Aspartate (reacID# r1806)
Ammonia (compID# c1581)
- Nitrogen -----> Ammonia (reacID# r1810)
- Nitrite -----> Ammonia (reacID# r1817)
- Nitrite -----> Ammonia (reacID# r1818)
Hydrazine (compID# c1576)
- Nitric oxide -----> Hydrazine (reacID# r1808)
- Hydrazine -----> Nitrogen (reacID# r1809)
Nitrogen (compID# c1577)
- Hydrazine -----> Nitrogen (reacID# r1809)
- Nitrous oxide -----> Nitrogen (reacID# r1821)
- Nitrogen -----> Ammonia (reacID# r1810)
Nitrite (compID# c1578)
- Nitrate -----> Nitrite (reacID# r1812)
- Nitrate -----> Nitrite (reacID# r1814)
- Nitrate -----> Nitrite (reacID# r1815)
- Nitrate -----> Nitrite (reacID# r1816)
- Nitrite -----> Nitric oxide (reacID# r1807)
- Nitrite -----> Ammonia (reacID# r1817)
- Nitrite -----> Ammonia (reacID# r1818)
Nitric oxide (compID# c1579)
- Nitrite -----> Nitric oxide (reacID# r1807)
- Nitric oxide -----> Hydrazine (reacID# r1808)
- Nitric oxide -----> Nitrous oxide (reacID# r1820)
Atenolol (compID# c1586)
- Atenolol -----> Atenolol acid (reacID# r1826)
Atenolol acid (compID# c1587)
- Atenolol -----> Atenolol acid (reacID# r1826)
4-aminobutanoate (compID# c1588)
- 4-Methylaminobutyrate -----> Formaldehyde + 4-aminobutanoate (reacID# r1827)
Carbetamide (compID# c1589)
2-[(phenylcarbamoyl)oxy]propanoic acid (compID# c1590)
Oseltamivir (compID# c1591)
Oseltamivir carboxylate (compID# c1592)
N-acetyl-o-toluidine (compID# c1593)
o-Toluidine (compID# c1594)
N-(4-aminophenyl)-4-chlorobenzamide (compID# c1595)
N-isopropyl-4-chlorobenzamide (compID# c1596)
N-phenyl-4-chlorobenzamide (compID# c1597)
4'-Hydroxy-o-toluidine (compID# c1598)
4'-Hydroxy-N-acetyl-o-toluidine (compID# c1599)
m-Toluamide (compID# c1600)
- N,N-Diethyl-m-toluamide -----> m-Toluamide (reacID# r1837)
3-(diethylcarbamoyl)benzoate (compID# c1601)
- N,N-diethyl-3-formylbenzamide -----> 3-(diethylcarbamoyl)benzoate (reacID# r1840)
N,N-diethyl-3-(hydroxymethyl)benzamide (compID# c1602)
- N,N-Diethyl-m-toluamide -----> N,N-diethyl-3-(hydroxymethyl)benzamide (reacID# r1838)
- N,N-diethyl-3-(hydroxymethyl)benzamide -----> N,N-diethyl-3-formylbenzamide (reacID# r1839)
N,N-diethyl-3-formylbenzamide (compID# c1603)
- N,N-diethyl-3-(hydroxymethyl)benzamide -----> N,N-diethyl-3-formylbenzamide (reacID# r1839)
- N,N-diethyl-3-formylbenzamide -----> 3-(diethylcarbamoyl)benzoate (reacID# r1840)
Valsartan (compID# c1604)
Dealkylated valsartan (compID# c1605)
Amino-valsartan (compID# c1606)
Valsartan acid (compID# c1607)
2'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehyde (compID# c1608)
N-ethyl-N-(4-hydroxybutyl)benzamide (compID# c1609)
N-butyl-N-ethylbenzamide (compID# c1610)
Napropamide (compID# c1611)
N-ethyl-2-(naphthalen-1-yloxy)propanamide (compID# c1612)
Levetiracetam (compID# c1614)
Levetiracetam acid (compID# c1615)
Tebutam (compID# c1616)
2,2-dimethyl-N-(propan-2-yl)propanamide (compID# c1617)
N-ethyl-2-methyl-N-phenylpentanamide (compID# c1618)
N-ethyl-3-hydroxy-2-methyl-N-phenylpentanamide (compID# c1619)
N-ethyl-2-methyl-3-oxo-N-phenylpentanamide (compID# c1620)
3-[ethyl(phenyl)amino]-2-methyl-3-oxopropanoic acid (compID# c1621)
N-benzyl-N-(propan-2-yl)butanamide (compID# c1622)
N-[hydroxy(phenyl)methyl]-N-(propan-2-yl)butanamide (compID# c1623)
N-ethyl-N-(2-methylphenyl)acetamide (compID# c1624)
N-ethyl-N-[2-(hydroxymethyl)phenyl]acetamide (compID# c1625)
N-ethyl-N-(2-formylphenyl)acetamide (compID# c1626)
2-[acetyl(ethyl)amino]benzoate (compID# c1627)
4-amino-N,N-diethylbenzamide (compID# c1628)
2-amino-N,N-diethylbenzamide (compID# c1629)
2-amino-N-ethylbenzamide (compID# c1630)
N-ethyl-N-(4-oxobutyl)benzamide (compID# c1631)
4-[benzoyl(ethyl)amino]butanoate (compID# c1632)
[benzoyl(ethyl)amino]acetate (compID# c1633)
4-chloro-N,N-diethylbenzamide (compID# c1634)
4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (compID# c1635)
4-chloro-N-ethyl-N-(2-oxoethyl)benzamide (compID# c1636)
[(4-chlorobenzoyl)(ethyl)amino]acetate (compID# c1637)
4-chloro-N-ethylbenzamide (compID# c1638)
2-chloro-N,N-diethylbenzamide (compID# c1639)
2-chloro-N-ethylbenzamide (compID# c1640)
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (compID# c1641)
2-chloro-N-ethyl-N-(2-oxoethyl)benzamide (compID# c1642)
[(2-chlorobenzoyl)(ethyl)amino]acetate (compID# c1643)
N,N-diethylbenzamide (compID# c1644)
Bezafibrate (compID# c1645)
2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid (compID# c1646)
2-(4-{(Z)-2-[(4-chlorobenzoyl)amino]ethenyl}phenoxy)-2-methylpropanoic acid (compID# c1647)
N,N-diethyl-4-nitrobenzamide (compID# c1648)
N,N-diethyl-2-phenylacetamide (compID# c1649)
N,N-diethyl-2-hydroxy-2-phenylacetamide (compID# c1650)
N,N-diethyl-2-oxo-2-phenylacetamide (compID# c1651)
4-chloro-N,N-dimethylbenzamide (compID# c1652)
4-chloro-N-methylbenzamide (compID# c1653)
N-butyl-4-chloro-N-ethylbenzamide (compID# c1654)
4-chloro-N-ethyl-N-(4-hydroxybutyl)benzamide (compID# c1655)
4-chloro-N-ethyl-N-(4-oxobutyl)benzamide (compID# c1656)
4-[(4-chlorobenzoyl)(ethyl)amino]butanoate (compID# c1657)
2-hydroxy-N-phenyl-N-(propan-2-yl)acetamide (compID# c1658)
2-oxo-N-phenyl-N-(propan-2-yl)acetamide (compID# c1659)
oxo[phenyl(propan-2-yl)amino]acetate (compID# c1660)
2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid (compID# c1661)
Iopromide (compID# c1662)
Iopromide-TP789A (compID# c1663)
Iopromide-TP789B (compID# c1664)
Iopromide-TP805A (compID# c1665)
Iopromide-TP805B (compID# c1666)
Iopromide-TP803A (compID# c1667)
Iopromide-TP803B (compID# c1668)
Iopromide-TP819 (compID# c1669)
Iopromide-TP731A (compID# c1670)
Iopromide-TP817A (compID# c1671)
Iopromide-TP731B (compID# c1672)
Iorpomide-TP729B (compID# c1673)
Iorpomide-TP701B (compID# c1674)
Iopromide-TP815 (compID# c1675)
Iopromide-TP787A (compID# c1676)
Iopromide-TP729A (compID# c1677)
Iopromide-TP701A (compID# c1678)
Iopromide-TP759 (compID# c1679)
Iopromide-TP643 (compID# c1680)
Iohexol (compID# c1681)
Iohexol-TP819 (compID# c1682)
Iohexol-TP835 (compID# c1683)
Iohexol-TP833A (compID# c1684)
Iohexol-TP849 (compID# c1685)
Iohexol-TP847 (compID# c1686)
Iohexol-TP863 (compID# c1687)
Iohexol-TP861 (compID# c1688)
Iohexol-TP833B (compID# c1689)
Iohexol-TP775 (compID# c1690)
Iohexol-TP687A (compID# c1691)
Iohexol-TP773 (compID# c1692)
Iohexol-TP745 (compID# c1693)
Iohexol-TP687B (compID# c1694)
Iohexol-TP657 (compID# c1695)
Iohexol-TP599 (compID# c1696)
Iohexol-TP629 (compID# c1697)
Iohexol-TP685A (compID# c1698)
2-[(2,6-diethylphenyl)(ethoxymethyl)amino]-2-oxoethanesulfonic acid (compID# c1699)

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