Phase 1 Metabolites and Phase 2 Conjugations

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30 Terms

1
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Aromatic Hydroxylation
Likely with EDG
Possible with EWG
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2
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Alkene Epoxidation
Likely
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3
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Alkene Reduction
Possible
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4
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Benzylic Oxidation
Likely
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5
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Allylic Hydroxylation
Likely
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6
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Oxidation @ carbonyls/Imines
Likely
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7
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Omega Oxidation
Possible
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8
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N-Dealkylation
Likely
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9
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Lactam Formation
Likely
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10
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Deamination
Likely
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11
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O-Dealkylation
Likely
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12
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S-Dealkylation
Likely
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13
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Thiols to Sulfides
Likely
Reverse is Possible
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14
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S-Oxidation
Likely
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15
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Aldehyde Oxidation
Likely
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16
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Dehydrohalogenation
Likely
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17
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Ketone Reduction
Likely
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18
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Aromatic Nitro Reduction

POSSIBLE
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19
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Aromatic Azo Reduction

POSSIBLE
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20
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Nitrile reaction
Possible
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21
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Amide Hydrolysis

Likely if no ester also present

Possible if ester is present
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22
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Ester Hydrolysis
Likely
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23
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N-Oxidation
Possible
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24
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Desulfuration
Possible
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25
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Glucuronic acid conjugation
Likely with: Alcohols, phenols, enols, hydroxylamines,
amines, aryl acids, alkyl acids, and thiols
Cofactor is UDPGA
Enzyme is UDP-Glucuronyl transferase
Cofactor is UDPGA
Enzyme is UDP-Glucuronyl transferase
26
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Sulfate Conjugation
Likely with Phenols and Alcohols
Possible with aromatic amines
Cofactor: PAPS
Enzyme: Sulfotransferase
Cofactor: PAPS
Enzyme: Sulfotransferase
27
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Glycine/glutamine conjugation
Likely with aromatic acids mostly, will also do normal acids
Cofactor: ATP and CoASH
Enzyme: Glycine/glutamine N-acetyl transferase
Cofactor: ATP and CoASH
Enzyme: Glycine/glutamine N-acetyl transferase
28
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Glutathione conjugation

Possible due to low amounts of GSH with Halgoens and other reactive centers
Enzyme: Glutathione S-transferase
Cofactor: GSH
Enzyme: Glutathione S-transferase
Cofactor: GSH
29
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Acetylation
Likely with aromatic amines
Possible with Alkyl amines
Cofactor: N-acetyl transferase
Enzyme: Acetyl CoA
Cofactor: N-acetyl transferase
Enzyme: Acetyl CoA
30
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Methylation Possible for alkyl amines/alcohols, phenols, thiols, heterocyclic nitrogens
Cofactor: SAM
Enzyme: COMT
Cofactor: SAM
Enzyme: COMT