List of All EAWAG-BBD Biotransformation Rules

You may search for btrules by full or partial name of starting or ending organic functional group (e.g. aldehyde or carboxylate).

As of May 1, 2024 at 10:13:12 PM CDT, the EAWAG-BBD contains 332 biotransformation descriptions for 249 biotransformation rules. These include 46 descriptions (*) for 25 super rules, and 39 rules subsumed by them. A list of all rules with relative reasoning is available.

• 5-(hydroxymethyl)oxepan-2-one derivative -----> 6-(2-hydroxyethyl)tetrahydro-2H-pyran-2-one derivative (bt0347)
• N-(dichloro-fluoromethyl)sulfanylaniline derivative -----> Aminobenzene derivative + Dichloro-fluoromethylsulfide derivative (bt0386)
• N-(dichloromethyl)sulfanylaniline derivative -----> Aminobenzene derivative + Dichloromethylsulfide derivative (bt0386)
• Acenaphthalenequinone derivative -----> Naphthalene-1,8-dicarboxylate derivative (bt0441)
• Acetophenone derivative -----> Acetylphenol derivative (bt0423)
• Acetophenone derivative -----> Benzoyl acetate derivative (bt0202)
• Acid chloride -----> Carboxylate (bt0026)
• Acylsulfonate -----> Carboxylate + HSO₃^- (bt0227)
• primary Alcohol -----> Aldehyde (bt0001)
• secondary Alcohol -----> Ester (bt0002)
• secondary Alcohol -----> Ketone (bt0002)
• Aldehyde -----> Carboxylate (bt0003)
• 1-Aldo/keto-2,4-diene-5-ol -----> Carboxylate + 1-ene-4-one (bt0040)
• Aldoxime -----> Nitrile (bt0062)
• secondary Aliphatic -----> secondary Alcohol (bt0242)
• tertiary Aliphatic -----> tertiary Alcohol (bt0241)
• Alkene -----> Alkane (bt0291)
• 1,2-Alkene -----> 1,2-Epoxide (bt0049)
• Alkyl or aryl sulfate -----> Alkyl or aryl 1-ol (bt0143)
• Alkylphosphonate -----> R-CH₃ + Phosphate (bt0147)
• Alkylsulfonic acid derivative -----> Aldehyde + Sulfurous acid (bt0286)
• Alkyne -----> Alkene (bt0070)
• terminal Alkyne -----> Aldehyde (bt0020)
• N, N-disubstituted Amide -----> N-substituted Amide + Aldehyde or Ketone (bt0243)
• N-carboxylate Amide -----> Amide + CO₂ (bt0280)
• N-substituted Amide -----> Amide + Aldehyde or Ketone (bt0243)
• primary Amide -----> Carboxylate (bt0027)
• secondary Amide -----> Carboxylate + primary Amine (bt0067)
• tertiary Amide -----> Carboxylate + secondary Amine (bt0430)
• 1-Amide-2-unsubstituted aromatic -----> vic-Dihydroxyaromatic + Amide (bt0065)
• primary Amine -----> Aldehyde or Ketone (bt0063)
• secondary Amine -----> Amine + Aldehyde or Ketone (bt0063)
• tertiary Amine -----> secondary Amine + Aldehyde or Ketone (bt0063)
• tri-substituted Amine N-oxide -----> tertiary Amine (bt0408)
• 4-Amino-1,2,4-triazinone derivative -----> 1,2,4-Triazione (bt0428)
• 1-Amino-2-hydroxy-3-unsubstituted benzenoid -----> distal extradiol ring cleavage (bt0041)
• 1-Amino-2-hydroxybenzenoid -----> 2-Amino-2,4-dienoate derivate + Carboxylate (bt0351) *
  
• 1-Amino-2-unsubstituted aromatic -----> vic-Dihydroxyaromatic + Amine (bt0065)
• 4-Aminobenzenesulfonate derivative -----> 4-Hydroxybenzenesulfonate derivative (bt0387)
• p-Aminobenzoate derivative -----> 1-Hydroxy-4-aminobenzenoid (bt0343)
• 2-Aminobenzoyl-CoA derivative -----> Benzoyl-CoA derivative (bt0199)
• 5-unsubstituted 2-Aminobenzoyl-CoA derivative -----> 2-Amino-5-oxo-cyclohex-1-enecarboxy-CoA derivative (bt0212)
• vic-Aminocarboxyaromatic -----> Catechol derivative (bt0060)
• 2-Aminophenol derivative -----> vic-Dihydroxybenzenoid (bt0388) *
  
• 3-Aminophenol derivative -----> 1,3-Dihydroxybenzenoid (bt0388) *
  
• 4-Aminophenol derivative -----> 4-Benzoquinone derivative (bt0105)
• 4-Aminophenol derivative -----> 1,4-Dihydroxybenzenoid (bt0388) *
  
• Anthracene -----> 9,10-Anthroquinone (bt0419) *
  
• Anthrone derivative -----> 2-Hydroxybenzoylacrylate derivative (bt0418) *
  
• Anthrone derivative -----> 2-[(2-Hydroxyphenyl)methyl]benzoate derivative (bt0418) *
  
• 1-carboxy-2-unsubstituted Aromatic -----> 1-Carboxy-1,2-dihydroxy-2-hydroaromatic (bt0368)
• 1-carboxy-2-unsubstituted Aromatic -----> Catechol derivative (bt0055) *
  
• vic-unsubstituted Aromatic -----> vic-Dihydrodihydroxyaromatic (bt0367)
• vic-unsubstituted Aromatic -----> vic-Dihydroxyaromatic (bt0005) *
  
• Aromatic amidothiophosphate -----> Hydroxyaromatic derivative + Amidothiophospate (bt0102)
• Aromatic dicarboxylate -----> Aromatic carboxylate + CO₂ (bt0349)
• Aromatic ether -----> Aromatic alcohol + Alcohol (bt0158)
• Aromatic methyl derivative + fumarate -----> Aromatic methylsuccinate derivative (bt0270)
• polynuclear Aromatic system -----> 1,2-dioxygenation and cleavage at connecting atom (bt0374) *
  
• Aromatic thiophosphate -----> Hydroxyaromatic derivative + Thiophosphate derivative (bt0102)
• Arylphosphodiester -----> Phenol derivative + Phosphoester (bt0104)
• Arylphosphoester -----> Phenol derivative (bt0104)
• Arylphosphotriester -----> Phenol derivative + Phosphodiester (bt0104)
• mono-carbon-substituted Benzenoid -----> 1-substituted-2,3-dihydrodihydroxy Benzenoid (bt0369)
• mono-carbon-substituted Benzenoid -----> 1-substituted-2,3-dihydroxy Benzenoid (bt0353) *
  
• mono-halo-substituted Benzenoid -----> 1-halo-2,3-dihydrodihydroxy Benzenoid (bt0369)
• mono-halo-substituted Benzenoid -----> 1-halo-2,3-dihydroxy Benzenoid (bt0353) *
  
• mono-pseudohalo-substituted Benzenoid -----> 1-pseudohalo-2,3-dihydrodihydroxy Benzenoid (bt0369)
• mono-pseudohalo-substituted Benzenoid -----> 1-pseudohalo-2,3-dihydroxy Benzenoid (bt0353) *
  
• monosubstituted Benzenoid -----> Add m-OH (bt0012)
• monosubstituted Benzenoid -----> Add o-OH (bt0011)
• monosubstituted Benzenoid -----> Add p-OH (bt0013)
• Benzoate -----> 3,4-Dehydroadipoate (bt0442) *
  
• Benzonitrile derivative -----> Phenol derivative (bt0031)
• 1,4-Benzoquinone derivative -----> 1,4-Dihydroxybenzenoid (bt0107)
• o-Benzoquinone derivative -----> vic-Dihydroxybenzenoid (bt0388) *
  
• Benzothiophene-S,S-dioxide derivative -----> 2-Hydroxyphenyl-2-ethenesulfonate derivative (bt0284)
• Benzoyl-CoA derivative -----> Cyclohex-1,5-diene-1-carboxy-CoA derivative (bt0192)
• Benzylsuccinyl-CoA derivative -----> E-Phenylitaconyl-CoA derivative (bt0213)
• Bisphenol A derivative -----> 1,2-bis(4-Hydroxyphenyl)-2-propanol derivative (bt0225)
• (+)-Camphor derivative -----> 5-exo-Hydroxycamphor derivative (bt0267)
• Carbamate -----> Amine (bt0318)
• Carbamyl -----> Amine + Carbonate (bt0318)
• disubstituted Carbonate -----> Aryl/alkyl 1-ol + Aryl/alkyl 1-ol (bt0385)
• mono Carbonate -----> Alcohol (bt0384)
• Carbonochloridate -----> mono Carbonate (bt0026)
• 1-Carboxy-1,2-dihydroxy-2-hydrobenzenoid -----> Catechol derivative (bt0056)
• 1-Carboxy-2-haloaromatic -----> 1,2-Dihydroxyaromatic (bt0072)
• 2- or 3- substituted Carboxylate -----> RH + CO₂ (bt0051)
• 2- or 3-Carboxypyridine -----> 2,5-Dihydroxypyridine (bt0362) *
  
• 1-Chlorinated-2,2-bis-(4'-chlorophenyl)ethane derivative -----> bis-(4'-Chlorophenyl)ethylene derivative (bt0275)
• 2-Chloro-3-oxoadipate derivative -----> Succinate derivative + Chloroacetate (bt0205)
• 3-Chlorophenylacetate derivative -----> 3,4-Dihydroxyphenylacetate derivative (bt0366)
• cis-2-ene-CoA thioester -----> Isohexenyl-glutaconyl-CoA (bt0322)
• Cyanamide -----> Urea derivative (bt0028)
• Cyanohydrin -----> Aldehyde (bt0443)
• Cyanophosphate derivative -----> Phosphate derivative + cyanide (bt0432)
• Cyclic 1,2-epoxide -----> 1-Hydroxyaromatic (bt0257)
• 2-unsubstituted Cyclic ether -----> 2-Hydroxy cyclic ether (bt0073)
• 2,5-Cyclohexadiene-1,4-diol derivative -----> 1,4-Benzenediol derivative (bt0214)
• substituted Cyclohexanone -----> substituted Cyclohexenone (bt0320)
• Cyclopropanecarboxylate derivative -----> Crotonate derivative (bt0306)
• Diazene -----> RNH₂ + R'NH₂ (bt0146)
• 3,5-Dichloro-2-methylmuconate -----> 2-Methyl-3-oxoadipate (bt0348) *
  
• Dienelactone derivative -----> Maleylacetate derivative (bt0313)
• vic-Dihalogenated cyclohexane derivative -----> Cyclohexene derivative (bt0379)
• Dihalomethyl derivative -----> 1-Halo-1-methylalcohol derivative (bt0022)
• vic-Dihydrodihydroxyaromatic -----> vic-Dihydroxyaromatic (bt0255)
• vic-Dihydronaphthalene derivative -----> vic-Dihydroxytetrahydronaphthalene derivative (bt0416)
• 1,4-Dihydroxy-2-halobenzenoid -----> 2-Halomaleylacetate (bt0069)
• 1,4-Dihydroxy-2-substituted -----> intrasubstituent ring cleavage (bt0174)
• 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline derivative -----> 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon derivative (bt0281)
• vic-Dihydroxyaromatic -----> intradiol ring cleavage (bt0254)
• 1,4-Dihydroxybenzenoid -----> Maleylacetate derivative (bt0357) *
  
• vic-Dihydroxybenzenoid -----> 2-Oxopent-4-enoate derivative + Carboxylate (bt0351) *
  
• vic-Dihydroxybenzenoid -----> extradiol ring cleavage (bt0008)
• 1,2-Dihydroxybenzenoid w fused aliphatic ring -----> 2-Oxo-3-butenoate aliphatic ring (bt0342)
• 1,2-Dihydroxybenzothionoid -----> Benzothionate (bt0340) *
  
• Dihydroxyfluorene derivative -----> Carboxy-1-indanone derivative (bt0340) *
  
• 1,2-Dihydroxypolyaromatic -----> 1-Hydroxy-2-carboxyaromatic (bt0340) *
  
• 2,3-Dihydroxypolyaromatic -----> extradiol ring cleavage (bt0344) *
  
• 2,5-Dihydroxypyridine -----> N-formylmaleamate (bt0363)
• vic-Dihydroxypyridine -----> intradiol ring cleavage (bt0254)
• 2,6-Dihydroxypyridine derivative -----> 2,3,6-Trihydroxypyridine derivative (bt0372)
• 3,4-Dihydroxypyridine derivative -----> 3(N-Formyl)-formiminopyruvate derivative (bt0365)
• 1,3-Diketone -----> Ketone + Carboxylate (bt0373)
• 1,2-Dimethanol aliphatic ring -----> Tetrahydrofuran derivative (bt0370)
• Dimethylphosphinate -----> Methylphosphonate (bt0147)
• 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine -----> 1-Nitro-1,2-dihydro-1,3,5-triazine (bt0397)
• 2,4-Dinitrophenol derivative -----> 2,4-Dinitrophenol hydride complex derivative (bt0304)
• 2,4-Dinitrophenol hydride complex derivative -----> 2,4-Dinitrocyclohexanone derivative (bt0305)
• 2,4-Dinitrophenol hydride complex derivative -----> 2,4-Dinitrocyclohexanone derivative (bt0311)
• 4,6-Dioxo-2-ene carboxylate -----> Oxo hydrolytic cleavage (bt0088)
• 2,4-Dioxocarboxylate -----> Pyruvate + Carboxylate (bt0200)
• disubstituted Disulfide -----> two Thiols (bt0260)
• Dithiophosphate diester -----> Thiophosphate diester (bt0103)
• Enol -----> Keto (bt0044)
• Enol ether -----> Keto + Alcohol (bt0158)
• trans-D2-Enoyl-CoA -----> 3-Hydroxyacyl-CoA (bt0335)
• Epoxide -----> Glycol (bt0050)
• Ester -----> Alcohol + Carboxylate (bt0024)
• aromatic-aliphatic Ether -----> Phenol derivative + Aldehyde (bt0023)
• dialiphatic Ether -----> Alcohol + Aldehyde (bt0023)
• Ether with vicinal halogenated carbon [H0] -----> Aldehyde (bt0295)
• Ether with vicinal halogenated carbon [H1] -----> Ester (bt0295)
• Ethylbenzenoid -----> Styrene derivative (bt0216)
• Fatty acid (n) -----> Fatty acid (n-2) (bt0337) *
  
• Fatty acid (n) w C2-C3 double bond -----> Fatty acid (n-2) (bt0337) *
  
• Fatty acid (n) w C3 -OH -----> Fatty acid (n-2) (bt0337) *
  
• Fatty acid (n) w C3 -keto -----> Fatty acid (n-2) (bt0337) *
  
• Formamide -----> Amine + Formate (bt0421)
• Formamidine -----> Amide + Methyl or Amine derivative (bt0350)
• 3-Formylpyruvate derivative -----> Pyruvate + Carboxylate (bt0392)
• 1-unsubstituted Furan derivative -----> 1-Hydroxyfuran derivative (bt0375)
• organoHalide -----> RH (bt0029)
• 1-Halo, 2-hydroxyaliphatic -----> 1,2-Epoxyaliphatic (bt0066)
• 2-Halo-cis,cis-muconate -----> trans-Dienelactone derivative (bt0181)
• 3-Halo-cis,cis-muconate derivative -----> cis-4-Carboxymethylenebut-2-en-4-olide derivative (bt0206)
• 4-Halobenzoate derivative -----> 4-Hydroxybenzoate derivative (bt0359)
• 2-Halomaleylacetate -----> 3-Oxoadipate derivative (bt0149)
• Halomethyl derivative -----> 1-Methylalcohol derivative (bt0022)
• 4-Halophenol derivative -----> Hydroquinone derivative (bt0359)
• 4-Halophenylacetate derivative -----> 3,4-Dihydroxyphenylacetate derivative (bt0366)
• Hemiacetal -----> Alcohol + Aldehyde (bt0434)
• Hemiaminal -----> Amine + Aldehyde (bt0219)
• cis,cis-Hexadienedioate -----> Muconolactone derivative (bt0098)
• Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (bt0397)
• n-Hexane derivative -----> (1-Methylpentyl)succinate derivative (bt0269)
• Hydrazonoethanoate derivative -----> Formylhydrazine derivative + Glyoxylate derivative (bt0405)
• Hydroquinolin-4-one derivative -----> Quinolin-3,4-diol derivative (bt0401)
• Hydroquinone derivative -----> cis,cis-4-Ketomuconic semialdehyde derivative (bt0297)
• 2-Hydroxy 3 or 5-aldo/keto pyridine derivative -----> 2-Hydroxypyridine derivative + Carboxylate (bt0153)
• 1-Hydroxy, 2-haloaliphatic -----> 1,2-Epoxyaliphatic (bt0066)
• 2-Hydroxy-2,4-diene derivative -----> 2-Oxo-3-ene derivative (bt0231)
• 3-Hydroxy-2-methylpyridine-5-carboxylate derivative -----> 2-(Acetamidomethylene)succinate derivative (bt0377)
• Hydroxy-2-naphthoate -----> 6-Carboxy-2,4-dien-2-oxoproponate benzyl derivative (bt0184)
• 1-Hydroxy-2-unsubstituted aromatic -----> 1,2-Dihydroxyaromatic (bt0014)
• 5-Hydroxy-3,4,4-trimethyl-delta²-pimelyl-CoA-delta-lactone -----> delta^2,5-3,4,4-Trimethylpimelyl-CoA derivative (bt0288)
• 3-Hydroxy-3-alkylcarboxylate -----> Acetate + Ketone (bt0427)
• 3-Hydroxy-3-alkylketone -----> 2 Ketones (bt0427)
• 3-Hydroxy-3-isohexenylglutaconyl-CoA -----> 7-Methyl-3-oxo-6-octenoyl-CoA + Acetate (bt0323)
• 1-Hydroxy-4-unsubstituted benzenoid -----> 1,4-Dihydroxybenzenoid derivative (bt0064)
• 2-Hydroxy-5-aminobenzoate derivate -----> 4-Amino-6-oxohepta-2,4-dienedioate derivative (bt0184)
• 2-Hydroxy-5-nitrobenzoate derivative -----> 4-Nitro-6-oxohepta-2,4-dienedioate derivative (bt0184)
• 5-Hydroxy-pyrrole derivative -----> 5-Oxo-4,5-dihydro-pyrrole derivative (bt0189)
• 3-Hydroxyacyl-CoA -----> 3-Ketoacyl-CoA (bt0336)
• Hydroxyaminal -----> Amine + Amide (bt0219)
• p-Hydroxybenzoate derivative -----> 1,4-Dihydroxybenzenoid (bt0343)
• 4-Hydroxybenzoyl-CoA derivative -----> Benzoyl-CoA derivative (bt0230)
• vic-Hydroxycarboxyaromatic -----> Catechol derivative (bt0060)
• 2-Hydroxyethanone derivative -----> Aldehyde derivative(s) (bt0237)
• 2-Hydroxyethylamine -----> Hemiaminal (bt0218)
• 1-Hydroxyfuran derivative -----> 4-Oxopentanoate derivative (bt0376)
• aromatic Hydroxylamine -----> aromatic Amine (bt0035)
• 1-Hydroxylamino, 2-unsubstituted benzenoid -----> 1-Amino-2-hydroxybenzenoid (bt0037)
• 1-Hydroxylamino, 4-unsubstituted benzenoid -----> 4-Aminophenol derivative (bt0037)
• Hydroxylaminobenzenoid -----> Nitrosobenzenoid (bt0079)
• 5-Hydroxyoxepan-2-one derivative -----> 5-(2-Hydroxyethyl)oxolan-2-one derivative (bt0346)
• 1,2-bis(4-Hydroxyphenyl)-2-propanol derivative -----> 4,4'-Dihydroxy-alpha-methylstilbene derivative (bt0226)
• 2,5-unsubstituted 4-Hydroxyphenylacetate derivative -----> 2,5-Dihydroxyphenylacetate derivative (bt0234)
• 2- or 3-Hydroxypyridine -----> 2,5-Dihydroxypyridine (bt0362) *
  
• 4-Hydroxypyridine derivative -----> 3,4-Dihydroxypyridine derivative (bt0014)
• cyclic Imine -----> Ketone + Amine (bt0391)
• primary Imine -----> Aldehyde (bt0391)
• Indan derivative -----> 1,2-Dihydroxyindan derivative (bt0437)
• Isocyanate -----> Carbamate (bt0110)
• substituted Isonitrile -----> N-substituted Formamide (bt0298)
• 1-Keto-2-nitrocyclohexane derivative -----> Nitrohexanoate derivative (bt0177)
• 3-Ketoacetyl-CoA derivative -----> CoA thioester + Acetyl-CoA (bt0161)
• 2-Ketoalkyl-CoM + CO₂ -----> 3-Ketocarboxylate + CoM (bt0198)
• 2-Ketocarboxylate -----> Carboxylate + CO₂ (bt0082)
• cyclic Ketone -----> cyclic Ester (bt0071)
• methyl Ketone -----> Alkyl acetate (bt0423)
• Lactam -----> Aminecarboxylate (bt0067)
• Lactone -----> Hydroxycarboxylate (bt0024)
• Maleylacetate derivative -----> 3-Oxoadipate derivative (bt0149)
• [2-halo]Maleylacetate derivative -----> Succinate (bt0348) *
  
• Maleylacetoacetate -----> Fumarate + Acetoacetate (bt0358) *
  
• 4-Maleylacetoacetate derivative -----> Fumarylacetoacetate derivative (bt0290)
• Maleylpyruvate -----> Fumarate + Pyruvate (bt0358) *
  
• Methoxyacetamide derivative -----> Primary Amide + Alcohol (bt0429)
• aromatic Methyl -----> primary Alcohol (bt0036)
• aliphatic Methyl [H0] -----> primary Alcohol (bt0332)
• aliphatic Methyl [H1] -----> primary Alcohol (bt0333)
• aliphatic Methyl [H2] -----> primary Alcohol (bt0334)
• 2-Methyl or 2,3-unsubstituted-alkyl-CoA derivative -----> 2,3-Didehydroalkyl-CoA derivative (bt0341)
• 1-Methyl-2-oxo CoA derivative -----> Acetyl CoA derivative (bt0338)
• 1-Methyl-2-oxo derivative -----> Acetate + RH (bt0352) *
  
• 3-Methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon derivative -----> 2,5,6-Trihydroxy-3-methylpyridine derivative (bt0282)
• 3-Methyl-cis,cis-muconate -----> 4-Methyl-3-oxoadipate (bt0417) *
  
• 2-unsubstituted-3-Methyl-alkyl-CoA derivative -----> 2,3-Didehydroalkyl-CoA derivative (bt0180)
• Methylammonium derivative -----> Trimethylamine + Aldehyde or Ketone (bt0063)
• 1-MethylcarboxylCoA -----> 1-MethylenecarboxylCoA (bt0268)
• 1-Methylcyclohexene derivative -----> 1,2-Epoxy-1-Methylcyclohexane derivative (bt0399)
• 1-MethylenecarboxylCoA -----> 1-MethylcarboxylCoA (bt0312)
• N-Methylideneformamide derivative -----> Methanimine derivative (bt0390)
• Monoalkylthiol -----> Aldehyde + H₂S (bt0259)
• Monoalkylthiophosphate -----> Aldehyde + Thiophosphate (bt0259)
• tetrahalo-cis,cis-Muconate -----> Malonate (bt0348) *
  
• [mono-, di-, or tri-halo]cis,cis-Muconate derivative -----> Succinate (bt0348) *
  
• N-aliphatic-s-triazine -----> Amino-s-triazine (bt0339)
• Nitrile -----> Carboxylate (bt0030)
• Nitro -----> Nitroso (bt0033)
• 1-Nitro-1,2-dihydro-1,3,5-triazine -----> 1-Nitro-1,3,5-triazinane-2,4-diol (bt0398)
• 1-Nitro-2-unsubstituted aromatic -----> vic-Dihydroxyaromatic (bt0042)
• 1-Nitro-4-hydroxybenzenoid -----> 1,4-Benzoquinone derivative (bt0400)
• 1-Nitro-4-hydroxybenzenoid -----> 1,4-Dihydroxybenzenoid (bt0108) *
  
• primary Nitroalkane -----> Aldehyde + Nitrite (bt0086)
• 4-Nitroaniline derivative -----> 4-Nitrophenol derivative (bt0388) *
  
• Nitroaromatic -----> Aminoaromatic (bt0080)
• Nitrobenzenoid -----> Hydroxylaminobenzenoid (bt0078)
• aliphatic Nitroester -----> Hydroxyaliphatic + Nitrite (bt0058)
• Nitroguanidine derivative -----> Urea derivative (bt0420) *
  
• 2-Nitrophenol derivative -----> Catechol derivative (bt0383)
• 2-Nitropropane -----> Acetone + Nitrite (bt0086)
• Nitroso -----> Hydroxylamine (bt0034)
• 1-Oxo 2- or 3-ene derivative -----> 1-Oxo-3-hydroxy derivative (bt0021)
• 5-Oxo-1,2-campholide -----> 2-Oxo-4,5,5-trimethylcyclopenenylacetate derivative (bt0271)
• 2-Oxo-3-enoate-4-Carboxyaromatic -----> 2-Carboxybenzaldehyde derivative (bt0345)
• 2-Oxo-4-hydroxycarboxylate -----> Aldehyde + Pyruvate (bt0043)
• 3-Oxoadipyl-CoA derivative -----> Succinyl-CoA derivative + Acetyl-CoA (bt0205)
• 2-Oxopent-4-enoate derivative -----> Pyruvate derivative + Acetaldehyde or Ketone (bt0352) *
  
• Peroxide -----> primary Alcohol (bt0077)
• 1-unsubstituted Phenanthrenoid -----> 1-Phenanthrol derivative (bt0124)
• Phenol -----> Phenylphosphate (bt0208)
• 4-substituted Phenol -----> Hydroquinone + primary Alcohol (bt0436)
• 4-unsubstituted Phenol derivative -----> 4-Hydroxybenzoate derivative (bt0209)
• Phenylacetate -----> 2-Oxepin-2(3H)-ylideneacetate (bt0438)
• 2-Phenylacyl derivative -----> Catechol derivative + Acyl derivative (bt0439) *
  
• Phenylcarbamate derivative -----> Phenol derivative + Amine (bt0389)
• Phloroglucinol derivative -----> Dihydrophloroglucinol derivative (bt0190)
• aliphatic Phosphodiester -----> Alcohol + aliphatic Phosphoester (bt0361)
• aliphatic Phosphoester -----> Alcohol (bt0361)
• Phosphonofluoridate derivative -----> Phosphonate derivative (bt0432)
• Phosphoramidate derivative -----> Phosphate + Amine (bt0440)
• Phosphorofluoridate derivative -----> Phosphate derivative (bt0432)
• aliphatic Phosphotriester -----> Alcohol + aliphatic Phosphodiester (bt0361)
• Pyridine -----> 5-Iminopentanoate (bt0364) *
  
• substituted Pyridine -----> Add m-OH (bt0012)
• substituted Pyridine -----> Add o-OH (bt0011)
• substituted Pyridine -----> Add p-OH (bt0013)
• 5-unsubstituted Pyrrole derivative -----> 5-Hydroxy-pyrrole derivative (bt0188)
• Quinolin-3,4-diol derivative -----> N-Acetylanthranilate derivative (bt0403)
• 2-unsubstituted Quinoline derivative -----> Hydroquinolin-2-one derivative (bt0166)
• 4-unsubstituted Quinoline derivative -----> Hydroquinolin-4-one derivative (bt0166)
• Saccharin -----> Catechol (bt0425)
• Stilbene derivative -----> Aldo/Keto derivative + Aldo/Keto derivative (bt0173)
• Styrene oxide -----> Phenylacetaldehyde (bt0217)
• Sulfamate -----> Amine (bt0144)
• disubstituted Sulfide -----> Aldehyde + Sulfide (bt0259)
• disubstituted Sulfide -----> disubstituted Sulfoxide (bt0162)
• substituted Sulfinate -----> Sulfite + RH (bt0195)
• 1-Sulfo-2-unsubstituted aromatic -----> vic-Dihydroxyaromatic + Sulfonite (bt0128)
• Sulfoaromatic -----> Aromatic alcohol (bt0210)
• 1-unsubstituted-2-Sulfoaromatic -----> vic-Dihydroxyaromatic + Sulfonite (bt0128)
• Sulfonamide -----> Amine + Sulfonate (bt0144)
• Sulfonyl chloride -----> Sulfonate (bt0406)
• di-[C,O]-substituted Sulfoxide -----> di-[C,O]-substituted Sulfone (bt0193)
• Tetracyclohepta-6-ene-5-one derivative -----> 3-Hydroxy-9,10-secoandrosta-1,3,5-triene-9-one derivative (bt0356) *
  
• Tetracycloheptadec-7-en-5-ol derivative -----> 3-Hydroxy-9,10-secoandrosta-1,3,5-triene-9-one derivative (bt0356) *
  
• Tetracycloheptadecan-5-one derivative -----> 3-Hydroxy-9,10-secoandrosta-1,3,5-triene-9-one derivative (bt0356) *
  
• Tetralin derivative -----> 1,2-dihydroxytetralin derivative (bt0437)
• Thioamide -----> Thioamide S-oxide (bt0327)
• Thioamide S,S-dioxide derivative -----> Nitrile (bt0394)
• Thioamide S-oxide derivative -----> Thioamide S,S-dioxide derivative (bt0393)
• Thioester -----> Thiol + Carboxylate (bt0325)
• Thiol -----> RH + H₂S (bt0435)
• Thiol -----> Sulfinate (bt0407)
• ene-Thiol CoA -----> Keto CoA (bt0326)
• Thiol alkene -----> Alcohol (bt0259)
• Thiophene-2-carboxyl-CoA -----> 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA (bt0324)
• Thiophosphate derivative -----> Phosphate derivative + Thiol (bt0432)
• Thiophosphate diester -----> Phosphate diester (bt0103)
• Thiophosphate triester -----> Phosphate triester (bt0103)
• aliphatic Thiophosphoester -----> Alcohol + aliphatic Thiophospate (bt0361)
• 1-halo or 1-pseudohalo-s-Triazine -----> 1-hydroxy-s-Triazine (bt0330)
• N-aliphatic-hydroxy-s-Triazine -----> hydroxy-s-Triazine (bt0061)
• s-Triazine -----> 3NH₃ + 3HCOOH (bt0412) *
  
• 1,2,4-Triazinone derivative -----> Hydrazonoethanoate derivative (bt0404)
• Tricarballylate -----> cis-Aconitate (bt0431)
• 2,4,6-Trihydroxy-1,3,5-triazine -----> Biuret (bt0156)
• 5-unsubstituted-1,2,3-Trihydroxybenzenoid -----> 1,3,5-Trihydroxybenzenoid (bt0154)
• 2,4,6-Trinitrophenol derivative -----> 2,4-Dinitrocyclohexanone derivative (bt0378) *
  
• 2,4,6-Trinitrophenol derivative -----> 2,4,6-Trinitrophenol hydride complex derivative (bt0304)
• 2,4,6-Trinitrophenol dihydride complex derivative -----> 2,4-Dinitrophenol hydride complex derivative (bt0307)
• 2,4,6-Trinitrophenol hydride complex derivative -----> 2,4,6-Trinitrophenol dihydride complex derivative (bt0305)
• N,N-disubstituted Urea derivative -----> N-substituted Carbamate + primary Amine (bt0068)
• N,N-disubstituted Urea derivative -----> N-substituted Urea derivative + Aldehyde or Ketone (bt0243)
• N-substituted Urea derivative -----> Carbamate + primary Amine (bt0068)
• N-substituted Urea derivative -----> Urea derivative + Aldehyde or Ketone (bt0243)
• cyclic Urea derivative -----> 1-Aminocarbamate derivative (bt0402)
• Xanthine derivative -----> Uric acid derivative (bt0316)

This is the EAWAG-BBD all biotransformation rules page.
It was generated on May 1, 2024 at 10:13:12 PM CDT.

© 2024, EAWAG.