UM-BBD Biotransformation Rule Subset E

Subset E

• _____ 1-Oxophosphate -----> Carboxylate (bt0201)
  
• _____ Peroxide -----> primary Alcohol (bt0077)
  
• _____ 1,2-unsubstituted Phenanthrenoid -----> 1,2-cis-Dihydroxydihydrophenanthrenoid (bt0015)
  
• _____ 1,2-unsubstituted Phenanthrenoid -----> Phenanthrene-1,2-oxide derivative (bt0096)
  
• _____ 1-unsubstituted Phenanthrenoid -----> 1-Phenanthrol derivative (bt0124)
  
• _____ 3,4-unsubstituted Phenanthrenoid -----> 3,4-cis-Dihydroxydihydrophenanthrenoid (bt0016)
  
• _____ 3,4-unsubstituted Phenanthrenoid -----> Phenanthrene-3,4-oxide derivative (bt0095)
  
• _____ 9,10-unsubsitituted Phenanthrenoid -----> 9,10-cis-Dihydroxydihydrophenanthrenoid (bt0059)
  
• _____ 9,10-unsubstituted Phenanthrenoid -----> Phenanthrene-9,10-oxide derivative (bt0097)
  
• _____ Phenathrene-4-carboxylate derivative -----> cis-3,4-Dihydro-3,4-dihydroxyphenanthrene-4-carboxylate derivative (bt0245)
  
• _____ Phenol derivative -----> Phenylphosphate derivative (bt0208)
  
• _____ 4-unsubstituted Phenol derivative -----> 4-Hydroxybenzoate derivative (bt0209)
  
• _____ Phloroglucinol derivative -----> Dihydrophloroglucinol derivative (bt0190)
  
• _____ alpha-Pinene derivative -----> Limonene derivative (bt0220)
  
• _____ alpha-Pinene derivative -----> Pinocarveol derivative (bt0221)
  
• _____ alpha-Pinene oxide derivative -----> cis-2-Methyl-5-isopropylhexa-2,5-dienal derivative (bt0160)
  
• _____ Pinocarveol derivative -----> Carveol derivative (bt0222)
  
• _____ Pyrene derivative -----> cis-4,5-Dihydroxy-4,5-dihydropyrene derivative (bt0247)
  
• _____ Pyrene derivative -----> Pyrene-1,2-oxide derivative (bt0248)
  
• _____ Pyrene derivative -----> Pyrene-4,5-oxide derivative (bt0261)
  
• _____ Pyrene epoxide derivative -----> Hydroxypyrene derivative (bt0257)
  
• _____ Pyrene-1,2-oxide derivative -----> 2-Hydroxypyrene derivative (bt0258)
  
• _____ Pyrene-4,5-oxide derivative -----> trans-4,5-Dihydroxy-4,5-dihydropyrene derivative (bt0262)
  
• _____ 5-unsubstituted Pyrrole derivative -----> 5-Hydroxy-pyrrole derivative (bt0188)
  
• _____ 2-unsubstituted Quinoline derivative -----> Hydroquinolin-2-one derivative (bt0166)
  
• _____ R-C(OH)=N-COOH -----> R-C(=O)-NH₂ + CO₂ (bt0280)
  
• _____ R-O-COO^- -----> R-OH + CO₂ (bt0051)
  
• _____ 2-Oxocarboxylate -----> Aldehyde + Carbon dioxide (bt0299)
  
• _____ Stilbene derivative -----> Aldo/Keto derivative + Aldo/Keto derivative (bt0173)
  
• _____ Sulfamate -----> Amine (bt0144)
  
• _____ Sulfide -----> Thiosulfate (bt0138)
  
• _____ disubstituted Sulfide -----> Aldehyde + Sulfide (bt0259)
  
• _____ disubstituted Sulfide -----> disubstituted Sulfoxide (bt0162)
  
• _____ substituted Sulfinate -----> Sulfite + RH (bt0195)
  
• _____ 1-Sulfo-2-unsubstituted aromatic -----> 1,2-Dihydroxyaromatic (bt0128)
  
• _____ Sulfobenzenoid -----> Phenol derivative (bt0210)
  
• _____ Sulfoxide -----> Sulfide (bt0148)
  
• _____ disubstituted Sulfoxide -----> disubstituted Sulfone (bt0193)
  
• _____ Tetrahydrofuranoid -----> 2-Hydroxytetrahydrofuranoid (bt0073)
  
• _____ Thiocyanate -----> Carbonyl sulfide (bt0100)
  
• _____ Thiocyanate -----> Cyanate +Sulfide (bt0101)
  
• _____ Thiol -----> Methyl sulfide derivative (bt0091)
  
• _____ Thiophosphate -----> Phosphate (bt0103)
  
• _____ Thiosulfate -----> Tetrathionate (bt0139)
  
• _____ Toluene -----> Benzylsuccinate (bt0270)
  
• _____ 1,3,5-Triazine-2,4,6-trione -----> Biuret (bt0156)
  
• _____ 1,3,5-Triazine-2,4,6-trione -----> 2,4,6-Trihydroxy-1,3,5-triazine (bt0157)
  
• _____ 2,4,6-Trihydroxy-1,3,5-triazine -----> 1,3,5-Triazine-2,4,6-trione (bt0155)
  
• _____ 5-unsubstituted-1,2,3-Trihydroxybenzenoid -----> 1,3,5-Trihydroxybenzenoid (bt0154)
  
• _____ N-substituted Urea derivative -----> Urea derivative + Aldehyde (bt0243)
  

© 2025, EAWAG. All rights reserved.

http://eawag-bbd.ethz.ch/workshop2/subsetE.html