Biological oxidations

Metabolites

3-Acetamidopropanal

Formula: C5H9NO2 (115.0633254)

CAS ID: 73323-68-9

4-Hydroxycyclophosphamide

Formula: C7H15Cl2N2O3P (276.019731)

CAS ID: 40277-05-2

4-Nitrophenol

Formula: C6H5NO3 (139.02694200000002)

CAS ID: 100-02-7

Acetaldehyde

Formula: C2H4O (44.0262134)

CAS ID: 75-07-0

Acetaminophen

Formula: C8H9NO2 (151.0633254)

CAS ID: 103-90-2

Acetate

Formula: C2H4O2 (60.0211284)

CAS ID: 64-19-7

Adenosine

Formula: C10H13N5O4 (267.09674980000005)

CAS ID: 58-61-7

Aflatoxin B1

Formula: C17H12O6 (312.06338519999997)

CAS ID: 1162-65-8

Aflatoxin M1

Formula: C17H12O7 (328.05830019999996)

CAS ID: 6795-23-9

Androstenedione

Formula: C19H26O2 (286.1932696)

CAS ID: 63-05-8

Benzene

Formula: C6H6 (78.0469476)

CAS ID: 71-43-2

Benzo[a]pyrene-4,5-oxide

Formula: C20H12O (268.0888102)

CAS ID: 37574-47-3

Cacodylate

Formula: C2H7AsO2 (137.9661982)

CAS ID: 75-60-5

Calcidiol

Formula: C27H44O2 (400.3341124)

CAS ID: 19356-17-3

Calcitriol

Formula: C27H44O3 (416.3290274)

CAS ID: 32222-06-3

Carbon tetrachloride

Formula: CCl4 (151.875412)

CAS ID: 56-23-5

Carboxyphosphamide

Formula: C7H15Cl2N2O4P (292.014646)

CAS ID: 22788-18-7

Chloroethylene oxide

Formula: C2H3ClO (77.9872418)

CAS ID: 7763-77-1

Cholesterol

Formula: C27H46O (386.3548466)

CAS ID: 57-88-5

Cl-

Formula: Cl (34.968853)

CAS ID: 16887-00-6

CO2

Formula: CO2 (43.98983)

CAS ID: 124-38-9

Cocaine

Formula: C17H21NO4 (303.1470506)

CAS ID: 50-36-2

Coumarin

Formula: C9H6O2 (146.0367776)

CAS ID: 91-64-5

Cyclophosphamide

Formula: C7H15Cl2N2O2P. H2O (278.0353802)

CAS ID: 6055-19-2

Debrisoquin

Formula: C10H13N3 (175.1109418)

CAS ID: 1131-64-2

Dehydroepiandrosterone

Formula: C19H28O2 (288.2089188)

CAS ID: 53-43-0

Dinitrochlorobenzene

Formula: C6H3ClN2O4 (201.9781348)

CAS ID: 97-00-7

Estrone

Formula: C18H22O2 (270.1619712)

CAS ID: 53-16-7

Estrone 3-sulfate

Formula: C18H22O5S (350.11878820000004)

CAS ID: 481-97-0

Ethanol

Formula: C2H6O (46.0418626)

CAS ID: 64-17-5

Formaldehyde

Formula: CH2O (30.0105642)

CAS ID: 50-00-0

Glutathione

Formula: C10H17N3O6S (307.08380220000004)

CAS ID: 70-18-8

H+

Formula: H (1.0078246)

CAS ID: 12408-02-5

H2O

Formula: H2O (18.0105642)

CAS ID: 7732-18-5

Halothane

Formula: C2HBrClF3 (195.89022319999998)

CAS ID: 151-67-7

Hydrochloric acid

Formula: HCl (35.9766776)

CAS ID: 7647-01-0

Hydrogen

Formula: H2 (2.0156492)

CAS ID: 1333-74-0

Hydrogen peroxide

Formula: H2O2 (34.0054792)

CAS ID: 7722-84-1

Indole

Formula: C8H7N (117.0578462)

CAS ID: 120-72-9

Indolin-2-one

Formula: C8H7NO (133.0527612)

CAS ID: 59-48-3

Lithium

Formula: Li (7.016005)

CAS ID: 7439-93-2

Magnesium cation

Formula: Mg (23.98505)

CAS ID: 22537-22-0

Manganese(2+)

Formula: Mn (54.938046)

CAS ID: 7439-96-5

Methanearsonous acid

Formula: CH5AsO2 (123.950549)

CAS ID: 25400-23-1

Methanol

Formula: CH4O (32.0262134)

CAS ID: 67-56-1

N-Methylpyridinium

Formula: C6H8N (94.06567079999999)

CAS ID: 694-56-4

NADP+

Formula: C21H29N7O17P3 (744.0832754)

CAS ID: 53-59-8

NADPH

Formula: C21H30N7O17P3 (745.0911)

CAS ID: 2646-71-1

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

Paclitaxel

Formula: C47H51NO14 (853.3309386)

CAS ID: 33069-62-4

Phenacetin

Formula: C10H13NO2 (179.09462380000002)

CAS ID: 62-44-2

Phenol

Formula: C6H6O (94.0418626)

CAS ID: 108-95-2

Phenytoin

Formula: C15H12N2O2 (252.0898732)

CAS ID: 57-41-0

Pregnenolone

Formula: C21H32O2 (316.24021719999996)

CAS ID: 145-13-1

Pyridine

Formula: C5H5N (79.042197)

CAS ID: 110-86-1

Retinoate

Formula: C20H28O2 (300.2089188)

CAS ID: 302-79-4

S-Formylglutathione

Formula: C11H17N3O7S (335.0787172)

CAS ID: 50409-81-9

Salicyluric acid

Formula: C9H9NO4 (195.0531554)

CAS ID: 487-54-7

Skatole

Formula: C9H9N (131.0734954)

CAS ID: 83-34-1

Tamoxifen

Formula: C26H29NO (371.2249024)

CAS ID: 10540-29-1

Tamoxifen N-oxide

Formula: C26H29NO2 (387.2198174)

CAS ID: 75504-34-6

Taurolithocholate sulfate

Formula: C26H45NO8S2 (563.258645)

CAS ID: 15324-65-9

Thiamazole

Formula: C4H6N2S (114.02516759999999)

CAS ID: 60-56-0

Tolbutamide

Formula: C12H18N2O3S (270.1038078)

CAS ID: 64-77-7

Trimethylamine

Formula: C3H9N (59.0734954)

CAS ID: 75-50-3

Trimethylamine N-oxide

Formula: C3H9NO (75.0684104)

CAS ID: 1184-78-7

Umbelliferone

Formula: C9H6O3 (162.03169259999999)

CAS ID: 93-35-6

Vinyl chloride

Formula: C2H3Cl (61.9923268)

CAS ID: 75-01-4

Vitamin D3

Formula: C27H44O (384.3391974)

CAS ID: 67-97-0

Zinc cation

Formula: Zn (63.929145)

CAS ID: 23713-49-7

Triiodothyronine sulfate

Formula: C15H12I3NO7S (730.7468772)

CAS ID: 31135-55-4

4-Hydroxy tolbutamide

Formula: C12H18N2O4S (286.0987228)

CAS ID: 1185112-19-9

4-Hydroxydebrisoquine

Formula: C10H13N3O (191.1058568)

CAS ID: 59333-79-8

3-Methylene-indolenine

Formula: C9H7N (129.0578462)

CAS ID: 40642-83-9

5-Hydroxyomeprazole

Formula: C17H19N3O4S (361.10962140000004)

CAS ID: 92340-57-3

4-Hydroxyphenytoin

Formula: C15H12N2O3 (268.0847882)

CAS ID: 2784-27-2

Dextrorphan

Formula: C17H23NO (257.1779548)

CAS ID: 125-73-5

NAPQI

Formula: C8H7NO2 (149.0476762)

CAS ID: 50700-49-7

L-argininium(1+)

Formula: C6H15N4O2 (175.119495)

CAS ID: 17806-42-7

p-Phenetidine

Formula: C8H11NO (137.0840596)

CAS ID: 156-43-4

4-Nitrophenyl butyrate

Formula: C10H11NO4 (209.0688046)

CAS ID: 2635-84-9

formate

Formula: CHO2 (44.997654600000004)

CAS ID: 71-47-6

acetate

Formula: C2H3O2 (59.0133038)

CAS ID: 71-50-1

butyrate

Formula: C4H7O2 (87.0446022)

CAS ID: 461-55-2

NADPH(4-)

Formula: C21H26N7O17P3 (741.0598016)

CAS ID: 53-57-6

ATP(4-)

Formula: C10H12N5O13P3 (502.9644492)

CAS ID:

NAD(1-)

Formula: C21H26N7O14P2 (662.1012936000001)

CAS ID: 53-84-9

ADP(3-)

Formula: C10H12N5O10P2 (424.0059412)

CAS ID:

NADP(3-)

Formula: C21H25N7O17P3 (740.051977)

CAS ID: 53-59-8

trifluoroacetyl chloride

Formula: C2ClF3O (131.9589776)

CAS ID: 354-32-5

methylarsonate(1-)

Formula: CH4AsO3 (138.9376394)

CAS ID: 51952-66-0



Enzyme

EC Number name full name note
1.1.1.-
1.1.1.1 alcohol dehydrogenase alcohol:NAD+ oxidoreductase
1.1.1.22 UDP-glucose 6-dehydrogenase UDP-alpha-D-glucose:NAD+ 6-oxidoreductase
1.1.1.284 S-(hydroxymethyl)glutathione dehydrogenase S-(hydroxymethyl)glutathione:NAD+ oxidoreductase
1.16.1.8 [methionine synthase] reductase [methionine synthase]-methylcob(III)alamin,S-adenosyl-L-homocysteine:NADP+ oxidoreductase
1.20.4.2 methylarsonate reductase glutathione:methylarsonate oxidoreductase
1.8.5.1 glutathione dehydrogenase (ascorbate) glutathione:dehydroascorbate oxidoreductase
2.1.1.1 nicotinamide N-methyltransferase S-adenosyl-L-methionine:nicotinamide N-methyltransferase
2.1.1.13 methionine synthase 5-methyltetrahydrofolate:L-homocysteine S-methyltransferase
2.5.1.18 glutathione transferase RX:glutathione R-transferase
2.8.2.1 aryl sulfotransferase 3'-phosphoadenylyl-sulfate:phenol sulfotransferase
3.13.2.1 adenosylhomocysteinase S-adenosyl-L-homocysteine hydrolase
5.2.1.2 maleylacetoacetate isomerase 4-maleylacetoacetate cis-trans-isomerase
6.3.2.2 glutamate-cysteine ligase L-glutamate:L-cysteine gamma-ligase (ADP-forming)


Proteins

Protein ID name full name