List of All UM-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 June 19, 2013 1:36:16 AM CDT, the UM-BBD contains 333 biotransformation descriptions for 250 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.

• 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)
• Amidine -----> Amine + Amide (bt0414)
• 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 -----> Halomethoxy 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 -----> Methoxy 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)
• 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)
• 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)
• N-(dichloro-fluoromethyl)sulfanylaniline derivative -----> Aminobenzene derivative + Dichloro-fluoromethylsulfide derivative (bt0386)
• Hexahydro-1,3,5-trinitro-1,3,5-triazine -----> 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (bt0397)
• Hydroxyaminal -----> Amine + Amide (bt0219)
• 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) *
  
• 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)
• 4-substituted Phenol -----> Hydroquinone + primary Alcohol (bt0436)
• Phenylacetate -----> 2-Oxepin-2(3H)-ylideneacetate (bt0438)
• 2-Phenylacyl derivative -----> Catechol derivative + Acyl derivative (bt0439) *
  
• Phenylcarbamate derivative -----> Phenol derivative + Amine (bt0389)
• 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 p-OH (bt0013)
• Quinolin-3,4-diol derivative -----> N-Acetylanthranilate derivative (bt0403)
• 4-unsubstituted Quinoline derivative -----> Hydroquinolin-4-one derivative (bt0166)
• Saccharin -----> Catechol (bt0425)
• Styrene oxide -----> Phenylacetaldehyde (bt0217)
• disubstituted Sulfide -----> Aldehyde + Sulfide (bt0259)
• 1-unsubstituted-2-Sulfoaromatic -----> vic-Dihydroxyaromatic + Sulfonite (bt0128)
• N-aliphatic-s-triazine -----> Amino-s-triazine (bt0339)
• Phenol -----> Phenylphosphate (bt0208)
• 4-unsubstituted Phenol derivative -----> 4-Hydroxybenzoate derivative (bt0209)
• Phloroglucinol derivative -----> Dihydrophloroglucinol derivative (bt0190)
• substituted Pyridine -----> Add m-OH (bt0012)
• substituted Pyridine -----> Add o-OH (bt0011)
• 5-unsubstituted Pyrrole derivative -----> 5-Hydroxy-pyrrole derivative (bt0188)
• 2-unsubstituted Quinoline derivative -----> Hydroquinolin-2-one derivative (bt0166)
• Stilbene derivative -----> Aldo/Keto derivative + Aldo/Keto derivative (bt0173)
• Sulfamate -----> Amine (bt0144)
• disubstituted Sulfide -----> disubstituted Sulfoxide (bt0162)
• substituted Sulfinate -----> Sulfite + RH (bt0195)
• 1-Sulfo-2-unsubstituted aromatic -----> vic-Dihydroxyaromatic + Sulfonite (bt0128)
• Sulfoaromatic -----> Aromatic alcohol (bt0210)
• 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)
• 5-(hydroxymethyl)oxepan-2-one derivative -----> 6-(2-hydroxyethyl)tetrahydro-2H-pyran-2-one derivative (bt0347)
• N-(dichloromethyl)sulfanylaniline derivative -----> Aminobenzene derivative + Dichloromethylsulfide derivative (bt0386)
• 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 UM-BBD all biotransformation rules page.
It was generated on June 19, 2013 1:36:16 AM CDT.

© 2013, University of Minnesota.