Phase 1 Metabolites and Phase 2 Conjugations

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Aromatic Hydroxylation Likely with EDG Possible with EWG

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1

Aromatic Hydroxylation Likely with EDG Possible with EWG

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2

Alkene Epoxidation Likely

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3

Alkene Reduction Possible

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4

Benzylic Oxidation Likely

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5

Allylic Hydroxylation Likely

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6

Oxidation @ carbonyls/Imines Likely

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7

Omega Oxidation Possible

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8

N-Dealkylation Likely

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9

Lactam Formation Likely

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10

Deamination Likely

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11

O-Dealkylation Likely

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12

S-Dealkylation Likely

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13

Thiols to Sulfides Likely Reverse is Possible

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14

S-Oxidation Likely

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15

Aldehyde Oxidation Likely

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16

Dehydrohalogenation Likely

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17

Ketone Reduction Likely

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18

Aromatic Nitro Reduction

POSSIBLE

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19

Aromatic Azo Reduction

POSSIBLE

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20

Nitrile reaction Possible

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21

Amide Hydrolysis

Likely if no ester also present

Possible if ester is present

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22

Ester Hydrolysis Likely

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23

N-Oxidation Possible

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24

Desulfuration Possible

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25

Glucuronic acid conjugation Likely with: Alcohols, phenols, enols, hydroxylamines, amines, aryl acids, alkyl acids, and thiols

Cofactor is UDPGA Enzyme is UDP-Glucuronyl transferase

<p>Cofactor is UDPGA Enzyme is UDP-Glucuronyl transferase</p>
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26

Sulfate Conjugation Likely with Phenols and Alcohols Possible with aromatic amines

Cofactor: PAPS Enzyme: Sulfotransferase

<p>Cofactor: PAPS Enzyme: Sulfotransferase</p>
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27

Glycine/glutamine conjugation Likely with aromatic acids mostly, will also do normal acids

Cofactor: ATP and CoASH Enzyme: Glycine/glutamine N-acetyl transferase

<p>Cofactor: ATP and CoASH Enzyme: Glycine/glutamine N-acetyl transferase</p>
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28

Glutathione conjugation

Possible due to low amounts of GSH with Halgoens and other reactive centers

Enzyme: Glutathione S-transferase Cofactor: GSH

<p>Enzyme: Glutathione S-transferase Cofactor: GSH</p>
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29

Acetylation Likely with aromatic amines Possible with Alkyl amines

Cofactor: N-acetyl transferase Enzyme: Acetyl CoA

<p>Cofactor: N-acetyl transferase Enzyme: Acetyl CoA</p>
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30

Methylation Possible for alkyl amines/alcohols, phenols, thiols, heterocyclic nitrogens

Cofactor: SAM Enzyme: COMT

<p>Cofactor: SAM Enzyme: COMT</p>
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