• Dibenzothiophene-5-oxide (compID# c0057)
  • Dibenzothiophene -----> Dibenzothiophene-5-oxide (reacID# r0037)
  • Dibenzothiophene-5-oxide -----> Dibenzothiophene-5,5-dioxide (reacID# r0038)
• Dibenzothiophene-5,5-dioxide (compID# c0058)
  • Dibenzothiophene-5-oxide -----> Dibenzothiophene-5,5-dioxide (reacID# r0038)
  • Dibenzothiophene-5,5-dioxide -----> 2'-Hydroxybiphenyl-2-sulfinate (reacID# r0235)
• 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)
• 1-Phenanthrylsulfate (compID# c0535)
  • 1-Phenanthrol -----> 1-Phenanthrylsulfate (reacID# r0565)
• Benzylsuccinyl-CoA (compID# c0341)
  • Benzylsuccinate -----> Benzylsuccinyl-CoA (reacID# r0329)
  • Benzylsuccinyl-CoA -----> E-Phenylitaconyl-CoA (reacID# r0330)
• 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)
• 2-Phenanthrylsulfate (compID# c0537)
  • 2-Phenanthrol -----> 2-Phenanthrylsulfate (reacID# r0563)
• (Hydroxymethylphenyl)succinyl-CoA (compID# c0343)
  • E-Phenylitaconyl-CoA -----> (Hydroxymethylphenyl)succinyl-CoA (reacID# r0331)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
• 3-Phenanthrylsulfate (compID# c0538)
  • 3-Phenanthrol -----> 3-Phenanthrylsulfate (reacID# r0561)
• Succinyl-CoA (compID# c0344)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
  • 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
  • Naphthyl-2-oxomethyl-succinyl-CoA -----> Succinyl-CoA + 2-Naphthoyl-CoA (reacID# r1261)
  • 3,4-Dehydroadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1750)
• 4-Phenanthrylsulfate (compID# c0539)
  • 4-Phenanthrol -----> 4-Phenanthrylsulfate (reacID# r0562)
• 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)
• 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)
• Methanesulfonate (compID# c0347)
  • Methanesulfonate -----> Hydrogen Sulfite + Formaldehyde (reacID# r0343)
• Hydrogen Sulfite (compID# c0348)
  • Methanesulfonate -----> Hydrogen Sulfite + Formaldehyde (reacID# r0343)
• (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)
• 3-Sulfinopropionate (compID# c1353)
  • 3-Mercaptopropionate -----> 3-Sulfinopropionate (reacID# r1582)
  • 3-Sulfinopropionate -----> 3-Sulfinopropionate-CoA (reacID# r1583)
• Thiocyanate (compID# c0560)
  • Thiocyanate -----> Carbonyl sulfide (reacID# r0598)
  • Thiocyanate -----> Cyanate + Sulfide (reacID# r0606)
• Acetyl-CoA (compID# c0031)
  • 3-Ketopimelyl-CoA -----> Glutaryl-CoA + Acetyl-CoA (reacID# r0197)
  • Acetoacetyl-CoA + Coenzyme A -----> Acetyl-CoA (reacID# r0201)
  • Benzoyl acetyl-CoA -----> Benzoyl-CoA + Acetyl-CoA (reacID# r0243)
  • delta^2,5-3,4,4-Trimethylpimelyl-CoA -----> Isobutyryl-CoA + Acetyl-CoA (reacID# r0431)
  • Ethylene Oxide + Coenzyme A -----> Acetyl-CoA (reacID# r0595)
  • 4-Methyl-3-oxooctanoyl-CoA -----> 2-Methylhexanoyl-CoA + Acetyl-CoA (reacID# r0927)
  • 3-Oxoadipyl-CoA -----> Succinyl-CoA + Acetyl-CoA (reacID# r1051)
  • 3-Oxo-5,6-dehydrosuberyl-CoA -----> Acetyl-CoA + 5-Carboxy-2-pentenoyl-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)
• Carbon disulfide (compID# c0561)
  • Carbon disulfide -----> Carbonyl sulfide (reacID# r0599)
• 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)
• Diethylthiophosphoric acid (compID# c0085)
  • Parathion -----> Diethylthiophosphoric acid + p-Nitrophenol (reacID# r0064)
  • Aminoparathion -----> Diethylthiophosphoric acid + p-Aminophenol (reacID# r0069)
  • Diethyl dithiophosphate -----> Diethylthiophosphoric acid (reacID# r1661)
  • Triazophos -----> 1-Phenyl-3-hydroxy-1,2,4-triazole + Diethylthiophosphoric acid (reacID# r1756)
  • Diethylthiophosphoric acid -----> Diethylphosphoric acid (reacID# r0065)
  • Diethylthiophosphoric acid -----> Ethanol + Ethylthiophosphate (reacID# r1668)
• Glutaconyl-CoA (compID# c0227)
  • Glutaryl-CoA -----> Glutaconyl-CoA (reacID# r0198)
  • Glutaconyl-CoA -----> Crotonoyl-CoA (reacID# r0199)
• Carbonyl sulfide (compID# c0562)
  • Thiocyanate -----> Carbonyl sulfide (reacID# r0598)
  • Carbon disulfide -----> Carbonyl sulfide (reacID# r0599)
  • Carbonyl sulfide -----> Carbon Monoxide (reacID# r0600)
• Dodecyl sulfate (compID# c0563)
  • Dodecyl sulfate -----> 1-Dodecanol (reacID# r0602)
• 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)
• Aminoparathion (compID# c0089)
  • Parathion -----> Aminoparathion (reacID# r0068)
  • Aminoparathion -----> Diethylthiophosphoric acid + p-Aminophenol (reacID# r0069)
• Lauroyl-CoA (compID# c0567)
  • Lauric acid -----> Lauroyl-CoA (reacID# r0604)
• Naphthalene-1-sulfonate (compID# c0320)
  • Naphthalene-1-sulfonate -----> 1,2-Dihydroxynaphthalene (reacID# r0320)
• Naphthalene-2-sulfonate (compID# c0321)
  • Naphthalene-2-sulfonate -----> 1,2-Dihydroxynaphthalene (reacID# r0318)
• Sulfide (compID# c0569)
  • Thiocyanate -----> Cyanate + Sulfide (reacID# r0606)
  • Sulfide -----> Thiosulfate (reacID# r0609)
• 2-Oxopropyl-CoM (compID# c0781)
  • (R)-2-Hydroxypropyl-CoM -----> 2-Oxopropyl-CoM (reacID# r0852)
  • (S)-2-Hydroxypropyl-CoM -----> 2-Oxopropyl-CoM (reacID# r0853)
  • 2-Oxopropyl-CoM -----> Acetoacetate (reacID# r0854)
• 1,2-Dihydroxynaphthalene-6-sulfonate (compID# c0322)
  • Naphthalene-2,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0322)
  • Naphthalene-1,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0323)
  • 1,2-Dihydroxynaphthalene-6-sulfonate -----> (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate (reacID# r0324)
• (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate (compID# c0323)
  • 1,2-Dihydroxynaphthalene-6-sulfonate -----> (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate (reacID# r0324)
  • (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate -----> Pyruvate + 5-Sulfosalicylate (reacID# r0325)
• 5-Sulfosalicylate (compID# c0324)
  • (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate -----> Pyruvate + 5-Sulfosalicylate (reacID# r0325)
  • 5-Sulfosalicylate -----> Gentisate (reacID# r0326)
• (R)-2-Hydroxypropyl-CoM (compID# c0784)
  • (R)-1,2-Epoxypropane -----> (R)-2-Hydroxypropyl-CoM (reacID# r0851)
  • (R)-2-Hydroxypropyl-CoM -----> 2-Oxopropyl-CoM (reacID# r0852)
• 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)
• (S)-2-Hydroxypropyl-CoM (compID# c0785)
  • (S)-1,2-Epoxypropane -----> (S)-2-Hydroxypropyl-CoM (reacID# r0858)
  • (S)-2-Hydroxypropyl-CoM -----> 2-Oxopropyl-CoM (reacID# r0853)
• 2'-Hydroxybiphenyl-2-sulfinate (compID# c0060)
  • Dibenzothiophene-5,5-dioxide -----> 2'-Hydroxybiphenyl-2-sulfinate (reacID# r0235)
  • 2'-Hydroxybiphenyl-2-sulfinate -----> 2-Hydroxybiphenyl (reacID# r0236)
• 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)
• Terbutryn (compID# c0256)
• cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene (compID# c0133)
  • Dibenzothiophene -----> cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene (reacID# r0160)
  • cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene -----> 1,2-Dihydroxydibenzothiophene (reacID# r0161)
• 2,4-Dichlorobenzoyl-CoA (compID# c0189)
  • 2,4-Dichlorobenzoate -----> 2,4-Dichlorobenzoyl-CoA (reacID# r0137)
  • 2,4-Dichlorobenzoyl-CoA -----> 4-Chlorobenzoyl-CoA (reacID# r0138)
• 4-Carboxy-4'-sulfoazobenzene (compID# c0548)
  • 4-Carboxy-4'-sulfoazobenzene -----> 4-Aminobenzoate + 4-Aminobenzenesulfonate (reacID# r0543)
• Methyl-coenzyme M (compID# c0353)
  • 5-Methyl-5,6,7,8-tetrahydromethanopterin -----> Methyl-coenzyme M (reacID# r0355)
  • Methyl-coenzyme M -----> Methane (reacID# r0356)
• 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)
• Toluene-4-sulfonate (compID# c0301)
  • Toluene-4-sulfonate -----> 4-Sulfobenzyl alcohol (reacID# r0290)
  • Toluene-4-sulfonate -----> 4-Methylcatechol (reacID# r0294)
  • Toluene-4-sulfonate -----> 4-Methylcatechol (reacID# r0295)
  • Toluene-4-sulfonate -----> 4-Hydroxytoluene (reacID# r0296)
• 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)
• 4-Sulfobenzyl alcohol (compID# c0302)
  • Toluene-4-sulfonate -----> 4-Sulfobenzyl alcohol (reacID# r0290)
  • 4-Sulfobenzyl alcohol -----> 4-Sulfobenzaldehyde (reacID# r0291)
• 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)
• 4-Sulfobenzaldehyde (compID# c0303)
  • 4-Sulfobenzyl alcohol -----> 4-Sulfobenzaldehyde (reacID# r0291)
  • 4-Sulfobenzaldehyde -----> 4-Sulfobenzoate (reacID# r0292)
• 4-Sulfocatechol (compID# c0427)
  • 4-Aminobenzenesulfonate -----> 4-Sulfocatechol (reacID# r0580)
  • 4-Sulfophenol -----> 4-Sulfocatechol (reacID# r1636)
  • 4-Sulfocatechol -----> 3-Sulfomuconate (reacID# r0581)
• 4-Sulfobenzoate (compID# c0304)
  • 4-Sulfobenzaldehyde -----> 4-Sulfobenzoate (reacID# r0292)
  • 4-Sulfobenzoate -----> 3,4-Dihydroxybenzoate (reacID# r0293)
• Thiosulfate (compID# c0570)
  • Sulfide -----> Thiosulfate (reacID# r0609)
  • Thiosulfate -----> Tetrathionate (reacID# r0610)
• Methionine (compID# c0094)
  • Methionine -----> Methanethiol + 2-Oxobutanoate (reacID# r0432)
• Dimethyl Sulfoxide (compID# c0236)
  • Dimethyl Sulfoxide -----> Dimethyl Sulfide (reacID# r0207)
• Tetrathionate (compID# c0571)
  • Thiosulfate -----> Tetrathionate (reacID# r0610)
• Dimethyl Sulfide (compID# c0237)
  • Dimethyl Sulfoxide -----> Dimethyl Sulfide (reacID# r0207)
  • Methanethiol -----> Dimethyl Sulfide (reacID# r0211)
  • Dimethyl Sulfide -----> Methanethiol + Formaldehyde (reacID# r0208)
• Methanethiol (compID# c0238)
  • Dimethyl Sulfide -----> Formaldehyde + Methanethiol (reacID# r0208)
  • Hydrogen Sulfide -----> Methanethiol (reacID# r0210)
  • Methionine -----> Methanethiol + 2-Oxobutanoate (reacID# r0432)
  • S-Methyl dihydrogen phosphorothioate -----> Phosphate + Methanethiol (reacID# r1712)
  • O,S-Dimethyl hydrogen phosphorothioate -----> Methylphosphate + Methanethiol (reacID# r1713)
  • Methanethiol -----> Formaldehyde + Hydrogen Sulfide (reacID# r0209)
  • Methanethiol -----> Dimethyl Sulfide (reacID# r0211)
• 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)
• Hydrogen Sulfide (compID# c0239)
  • Methanethiol -----> Hydrogen Sulfide + Formaldehyde (reacID# r0209)
  • Hydrogen Sulfide -----> Methanethiol (reacID# r0210)
• Dibenzothiophene (compID# c0118)
  • Dibenzothiophene -----> Dibenzothiophene-5-oxide (reacID# r0037)
  • Dibenzothiophene -----> cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene (reacID# r0160)
• Octanoyl-CoA (compID# c0048)
  • Octanoate -----> Octanoyl-CoA (reacID# r0024)
• Benzoyl-CoA (compID# c0119)
  • 4-Hydroxybenzoyl-CoA -----> Benzoyl-CoA (reacID# r0158)
  • Benzoate -----> Benzoyl-CoA (reacID# r0189)
  • Benzoyl acetyl-CoA -----> Acetyl-CoA + Benzoyl-CoA (reacID# r0243)
  • (Hydroxymethylphenyl)succinyl-CoA -----> Succinyl-CoA + Benzoyl-CoA (reacID# r0332)
  • 2-Aminobenzoyl-CoA -----> Benzoyl-CoA (reacID# r0342)
  • Benzoyl-CoA -----> Cyclohex-1,5-diene-1-carboxyl-CoA (reacID# r0190)
  • Benzoyl-CoA -----> 2,3-Epoxybenzoyl-CoA (reacID# r1746)
• Ametryn (compID# c0260)
• 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)
• Phenanthrene-3,4-dihydrodiolsulfate conjugate (compID# c0528)
  • trans-3,4-Dihydrodiolphenanthrene -----> Phenanthrene-3,4-dihydrodiolsulfate conjugate (reacID# r0558)
• 9-Phenanthrylsulfate (compID# c0529)
  • 9-Phenanthrol -----> 9-Phenanthrylsulfate (reacID# r0564)
• 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)
• 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)
• Glutathionyl selenide anion (compID# c0744)
  • Selenodiglutathione -----> Glutathionyl selenide anion (reacID# r0831)
  • Glutathionyl selenide anion -----> Hydrogen Selenide (reacID# r0832)
• 1,2-Dihydroxydibenzothiophene (compID# c0196)
  • cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene -----> 1,2-Dihydroxydibenzothiophene (reacID# r0161)
  • 1,2-Dihydroxydibenzothiophene -----> cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (reacID# r0162)
• 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)
• cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (compID# c0197)
  • 1,2-Dihydroxydibenzothiophene -----> cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (reacID# r0162)
  • cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate -----> trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (reacID# r0163)
• 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)
• 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)
• trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (compID# c0198)
  • cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate -----> trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate (reacID# r0163)
  • trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate -----> Pyruvate + 3-Hydroxy-2-formylbenzothiophene (reacID# r0164)
• 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)
• 3-Sulfomuconate (compID# c0552)
  • 4-Sulfocatechol -----> 3-Sulfomuconate (reacID# r0581)
  • 3-Sulfomuconate -----> 4-Sulfomuconolactone (reacID# r0582)
• 3-Hydroxy-2-formylbenzothiophene (compID# c0199)
  • trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate -----> Pyruvate + 3-Hydroxy-2-formylbenzothiophene (reacID# r0164)
  • 3-Hydroxy-2-formylbenzothiophene -----> Carbon Dioxide (reacID# r0505)
• 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)
• 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)
• 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)
• 4-Sulfomuconolactone (compID# c0553)
  • 3-Sulfomuconate -----> 4-Sulfomuconolactone (reacID# r0582)
  • 4-Sulfomuconolactone -----> Maleylacetate (reacID# r0583)
• Pimeloyl-CoA (compID# c0218)
  • 2-Ketocyclohexane-1-carboxyl-CoA -----> Pimeloyl-CoA (reacID# r0193)
  • Pimeloyl-CoA -----> 2,3-Didehydro-pimeloyl-CoA (reacID# r0194)
• (3R)-3-Isopropenyl -6-oxoheptanoyl-CoA (compID# c0678)
  • (3R)-3-Isopropenyl-6-oxoheptanoate -----> (3R)-3-Isopropenyl -6-oxoheptanoyl-CoA (reacID# r0737)
• 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)
• Propanoyl-CoA (compID# c0363)
  • 2-Oxobutanoate -----> Propanoyl-CoA (reacID# r0358)
  • 2-Methyl-3-oxohexanoyl-CoA -----> Butyryl-CoA + Propanoyl-CoA (reacID# r0931)
  • 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA -----> Propanoyl-CoA + 3-Isopropylbut-3-enoyl-CoA (reacID# r0987)
  • 2,4,4-Trimethyl-3-oxopentanoyl-CoA -----> Propanoyl-CoA + Pivalyl-CoA (reacID# r1274)
  • 3-Sulfinopropionate-CoA -----> Propanoyl-CoA (reacID# r1584)
  • cis-1,2-Diol-2-hydroibuprofen-CoA -----> Isobutylcatechol + Propanoyl-CoA (reacID# r1736)
• 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)
• 2-Aminobenzenesulfonate (compID# c0245)
  • 2-Aminobenzenesulfonate -----> 3-Sulfocatechol (reacID# r0218)
• Naphthalene-1,6-disulfonate (compID# c0317)
  • Naphthalene-1,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0323)
• 3-Sulfocatechol (compID# c0246)
  • 2-Aminobenzenesulfonate -----> 3-Sulfocatechol (reacID# r0218)
  • 3-Sulfocatechol -----> 2-Hydroxymuconate (reacID# r0219)
• Naphthalene-2,6-disulfonate (compID# c0319)
  • Naphthalene-2,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0322)
• Phenanthrene-9,10-dihydrodiolsulfate conjugate (compID# c0530)
  • trans-9R,10R-Dihydrodiolphenanthrene -----> Phenanthrene-9,10-dihydrodiolsulfate conjugate (reacID# r0559)
• 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)
• (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)
• (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 -----> 1,4-Cyclohexanedione + Coenzyme A (reacID# r0584)
  • Acetoacetyl-CoA + Coenzyme A -----> Acetyl-CoA (reacID# r0201)
  • Ethylene Oxide + Coenzyme A -----> 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)
• 1-Pyrenylsulfate (compID# c0858)
  • 1-Hydroxypyrene -----> 1-Pyrenylsulfate (reacID# r0952)
• 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)
• 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)
• Benzyl mercaptan (compID# c0895)
  • Benzyl sulfide -----> Benzaldehyde + Benzyl mercaptan (reacID# r1013)
  • Benzyl disulfide -----> Benzyl mercaptan (reacID# r1015)
  • Benzyl mercaptan -----> Benzyl disulfide (reacID# r1014)
• Benzyl disulfide (compID# c0896)
  • Benzyl mercaptan -----> Benzyl disulfide (reacID# r1014)
  • Benzyl disulfide -----> Benzyl mercaptan (reacID# r1015)
• Benzyl sulfide (compID# c0897)
  • Benzyl sulfide -----> Benzaldehyde + Benzyl mercaptan (reacID# r1013)
  • Benzyl sulfide -----> Benzyl sulfoxide (reacID# r1016)
  • Benzyl sulfide -----> Benzyl sulfoxide (reacID# r1017)
• Benzyl sulfoxide (compID# c0898)
  • Benzyl sulfide -----> Benzyl sulfoxide (reacID# r1016)
  • Benzyl sulfide -----> Benzyl sulfoxide (reacID# r1017)
  • Benzyl sulfoxide -----> Benzyl sulfone (reacID# r1018)
  • Benzyl sulfoxide -----> Benzyl sulfone (reacID# r1019)
• Benzyl sulfone (compID# c0899)
  • Benzyl sulfoxide -----> Benzyl sulfone (reacID# r1018)
  • Benzyl sulfoxide -----> Benzyl sulfone (reacID# r1019)
• 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)
• 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)
• Branched-chain dodecylbenzene sulfonate (compID# c0946)
  • Branched-chain dodecylbenzene sulfonate -----> Branched-chain dodecyl-4-hydroxy-benzene (reacID# r1079)
• 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)
• 4-Sulfoacetophenone (compID# c1407)
  • 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA -----> 4-Sulfoacetophenone (reacID# r1666)
  • 4-Sulfoacetophenone -----> 4-Sulfophenol acetate (reacID# r1634)
• 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)
• Benzothiophene-S-oxide (compID# c1384)
  • Benzothiophene -----> Benzothiophene-S-oxide (reacID# r1600)
  • Benzothiophene-S-oxide -----> Benzothiophene-S,S-dioxide (reacID# r1601)
• Benzothiophene-S,S-dioxide (compID# c1385)
  • Benzothiophene-S-oxide -----> Benzothiophene-S,S-dioxide (reacID# r1601)
  • Benzothiophene-S,S-dioxide -----> (Z)-2-(2-Hydroxyphenyl)ethenesulfinate (reacID# r1603)
• (Z)-2-(2-Hydroxyphenyl)ethenesulfinate (compID# c1386)
  • Benzothiophene-S,S-dioxide -----> (Z)-2-(2-Hydroxyphenyl)ethenesulfinate (reacID# r1603)
  • (Z)-2-(2-Hydroxyphenyl)ethenesulfinate -----> o-Hydroxystyrene (reacID# r1602)
  • (Z)-2-(2-Hydroxyphenyl)ethenesulfinate -----> 2-Hydroxyphenylacetaldehyde (reacID# r1604)
• Endosulfan sulfate (compID# c1189)
  • Endosulfan -----> Endosulfan sulfate (reacID# r1382)
  • Endosulfan sulfate -----> Endosulfan hemisulfate (reacID# r1383)
  • Endosulfan sulfate -----> Endosulfan diol (reacID# r1387)
• 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-carboxylate (compID# c1083)
  • Thiophene-2-carboxylate -----> Thiophene-2-carboxyl-CoA (reacID# r1234)
  • Thiophene-2-carboxylate -----> Tetrahydrothiophene-2-carboxylate (reacID# r1282)
  • Thiophene-2-carboxylate -----> 3-Hydroxytetrahydrothiophene-2-carboxylate (reacID# r1283)
• 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)
• 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)
• 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)
• Tetrahydrothiophene-2-carboxylate (compID# c1124)
  • Thiophene-2-carboxylate -----> Tetrahydrothiophene-2-carboxylate (reacID# r1282)
• 3-Hydroxytetrahydrothiophene-2-carboxylate (compID# c1123)
  • Thiophene-2-carboxylate -----> 3-Hydroxytetrahydrothiophene-2-carboxylate (reacID# r1283)
• 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)
• Endosulfan (compID# c1188)
  • Endosulfan -----> Endosulfan sulfate (reacID# r1382)
  • Endosulfan -----> Endosulfan diol (reacID# r1385)
  • Endosulfan -----> Endosulfan hydroxyether (reacID# r1390)
  • Endosulfan -----> Endosulfan monoaldehyde (reacID# r1391)
  • Endosulfan -----> Endosulfan monoalcohol (reacID# r1424)
• Endosulfan hemisulfate (compID# c1204)
  • Endosulfan sulfate -----> Endosulfan hemisulfate (reacID# r1383)
  • Endosulfan hemisulfate -----> Endosulfan monoalcohol (reacID# r1384)
• Hexadecanoyl-CoA (compID# c1218)
  • Hexadecanal -----> Hexadecanoyl-CoA (reacID# r1374)
  • Hexadecanoate -----> Hexadecanoyl-CoA (reacID# r1408)
• 4-Sulfophenol (compID# c1265)
  • 4-Aminobenzenesulfonate -----> 4-Sulfophenol (reacID# r1459)
  • 4-Sulfophenol acetate -----> 4-Sulfophenol (reacID# r1635)
  • 4-Sulfophenol -----> 1,2,4-Benzenetriol (reacID# r1460)
  • 4-Sulfophenol -----> 4-Sulfocatechol (reacID# r1636)
• Sulfanilamide (compID# c1264)
  • Asulam -----> Sulfanilamide (reacID# r1457)
  • Sulfanilamide -----> 4-Aminobenzenesulfonate (reacID# r1458)
• Asulam (compID# c1263)
  • Asulam -----> Sulfanilamide (reacID# r1457)
• Thiamin (compID# c1257)
  • Thiamin -----> Formylaminopyrimidine + 5-Hydroxy-3-sulfanylpentan-2-one (reacID# r1461)
• 5-Hydroxy-3-sulfanylpentan-2-one (compID# c1326)
  • Thiamin -----> Formylaminopyrimidine + 5-Hydroxy-3-sulfanylpentan-2-one (reacID# r1461)
• 3-Mercaptopropionate (compID# c1351)
  • 3,3'-Dithiodipropionate -----> 3-Mercaptopropionate (reacID# r1581)
  • 3-Mercaptopropionate -----> 3-Sulfinopropionate (reacID# r1582)
• 3,3'-Dithiodipropionate (compID# c1350)
  • 3,3'-Dithiodipropionate -----> 3-Mercaptopropionate (reacID# r1581)
• 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)
• Sulfoacetaldehyde (compID# c1361)
  • N-Methyltaurine -----> Methylamine + Sulfoacetaldehyde (reacID# r1565)
• Benzothiophene (compID# c1383)
  • Benzothiophene -----> Benzothiophene-S-oxide (reacID# r1600)
• 3-Sulfinopropionate-CoA (compID# c1375)
  • 3-Sulfinopropionate -----> 3-Sulfinopropionate-CoA (reacID# r1583)
  • 3-Sulfinopropionate-CoA -----> Propanoyl-CoA (reacID# r1584)
• 3-(4-Sulfophenyl)butyrate (compID# c1406)
  • 3-(4-Sulfophenyl)butyrate -----> 3-(4-Sulfophenyl)butyrate-CoA (reacID# r1663)
• 4-Sulfophenol acetate (compID# c1408)
  • 4-Sulfoacetophenone -----> 4-Sulfophenol acetate (reacID# r1634)
  • 4-Sulfophenol acetate -----> 4-Sulfophenol (reacID# r1635)
• S-(Diethylsuccinyl)-O-methylphosphorothioate (compID# c1469)
  • Malaoxon -----> S-(Diethylsuccinyl)-O-methylphosphorothioate + Methanol (reacID# r1715)
  • S-(Diethylsuccinyl)-O-methylphosphorothioate -----> S-(Diethylsuccinyl)-phosphorothioate + Methanol (reacID# r1716)
• Malathion monocarboxylate (compID# c1458)
  • Malathion -----> Ethanol + Malathion monocarboxylate (reacID# r1681)
  • Malathion monocarboxylate -----> Ethanol + Malathion dicarboxylate (reacID# r1682)
• Malathion (compID# c1457)
  • Malathion -----> Diethyl malate (reacID# r1680)
  • Malathion -----> Malathion monocarboxylate + Ethanol (reacID# r1681)
  • Malathion -----> Desmethyl malathion + Methanol (reacID# r1687)
  • Malathion -----> Malaoxon (reacID# r1701)
• 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)
• Saccharin (compID# c1454)
  • Saccharin -----> Catechol (reacID# r1667)
• Phorate (compID# c1432)
  • Phorate -----> Phorate sulfoxide (reacID# r1658)
  • Phorate -----> Diethyl dithiophosphate (reacID# r1660)
• 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)
• Phorate sulfoxide (compID# c1433)
  • Phorate -----> Phorate sulfoxide (reacID# r1658)
  • Phorate sulfoxide -----> Phorate sulfone (reacID# r1659)
• Phorate sulfone (compID# c1435)
  • Phorate sulfoxide -----> Phorate sulfone (reacID# r1659)
• Diethyl dithiophosphate (compID# c1436)
  • Phorate -----> Diethyl dithiophosphate (reacID# r1660)
  • Diethyl dithiophosphate -----> Diethylthiophosphoric acid (reacID# r1661)
• Ethylthiophosphate (compID# c1437)
  • Diethylthiophosphoric acid -----> Ethanol + Ethylthiophosphate (reacID# r1668)
  • Ethylthiophosphate -----> Ethylphosphate (reacID# r1669)
• 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)
• Malathion dicarboxylate (compID# c1459)
  • Malathion monocarboxylate -----> Ethanol + Malathion dicarboxylate (reacID# r1682)
  • Malathion dicarboxylate -----> Dimethyldithiophosphate + Oxaloacetate (reacID# r1689)
• Dimethylthiophosphate (compID# c1460)
  • Dimethyldithiophosphate -----> Dimethylthiophosphate (reacID# r1683)
  • Dimethylthiophosphate -----> Methanol + Methylthiophosphate (reacID# r1684)
  • Dimethylthiophosphate -----> Dimethylphosphate (reacID# r1690)
• Thiophosphate (compID# c1463)
  • Methylthiophosphate -----> Methanol + Thiophosphate (reacID# r1685)
  • Thiophosphate -----> Phosphate (reacID# r1686)
• Methylthiophosphate (compID# c1464)
  • Dimethylthiophosphate -----> Methanol + Methylthiophosphate (reacID# r1684)
  • Methylthiophosphate -----> Methanol + Thiophosphate (reacID# r1685)
• Desmethyl malathion (compID# c1465)
  • Malathion -----> Methanol + Desmethyl malathion (reacID# r1687)
• Malaoxon (compID# c1467)
  • Malathion -----> Malaoxon (reacID# r1701)
  • Malaoxon -----> Methanol + S-(Diethylsuccinyl)-O-methylphosphorothioate (reacID# r1715)
• Dimethyldithiophosphate (compID# c1468)
  • Malathion dicarboxylate -----> Dimethyldithiophosphate + Oxaloacetate (reacID# r1689)
  • Dimethyldithiophosphate -----> Dimethylthiophosphate (reacID# r1683)
• S-(Diethylsuccinyl)-phosphorothioate (compID# c1470)
  • S-(Diethylsuccinyl)-O-methylphosphorothioate -----> S-(Diethylsuccinyl)-phosphorothioate + Methanol (reacID# r1716)
  • S-(Diethylsuccinyl)-phosphorothioate -----> Diethyl 2-mercaptosuccinate + Phosphate (reacID# r1717)
• Diethyl 2-mercaptosuccinate (compID# c1471)
  • S-(Diethylsuccinyl)-phosphorothioate -----> Phosphate + Diethyl 2-mercaptosuccinate (reacID# r1717)
  • Diethyl 2-mercaptosuccinate -----> Diethyl succinate (reacID# r1718)
• 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)
• O,S-Dimethyl hydrogen phosphorothioate (compID# c1482)
  • Methamidophos -----> O,S-Dimethyl hydrogen phosphorothioate (reacID# r1710)
  • O,S-Dimethyl hydrogen phosphorothioate -----> Methanol + S-Methyl dihydrogen phosphorothioate (reacID# r1711)
  • O,S-Dimethyl hydrogen phosphorothioate -----> Methanethiol + Methylphosphate (reacID# r1713)
• S-Methyl dihydrogen phosphorothioate (compID# c1483)
  • O,S-Dimethyl hydrogen phosphorothioate -----> Methanol + S-Methyl dihydrogen phosphorothioate (reacID# r1711)
  • S-Methyl dihydrogen phosphorothioate -----> Phosphate + Methanethiol (reacID# r1712)
• Isobutyryl-CoA (compID# c1582)
  • delta^2,5-3,4,4-Trimethylpimelyl-CoA -----> Acetyl-CoA + Isobutyryl-CoA (reacID# r0431)
• 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)
• 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)
• Pseudoecgonyl-CoA (compID# c1569)
  • Pseudoecgonine -----> Pseudoecgonyl-CoA (reacID# r1801)
  • Pseudoecgonyl-CoA -----> Carbon Dioxide (reacID# r1802)
• 2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid (compID# c1661)
• 2-[(2,6-diethylphenyl)(ethoxymethyl)amino]-2-oxoethanesulfonic acid (compID# c1699)

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