Biological oxidations

Metabolites

(24S)-Cholest-5-ene-3beta,7alpha,24-triol

Formula: C27H46O3 (418.34467659999996)

CAS ID: 245523-67-5

1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide

Formula: C11H16N2O5 (256.1059166)

CAS ID: 19132-12-8

11-Deoxycorticosterone

Formula: C21H30O3 (330.21948299999997)

CAS ID: 64-85-7

11-Deoxycortisol

Formula: C21H30O4 (346.214398)

CAS ID: 152-58-9

12-Hydroxydodecanoic acid

Formula: C12H24O3 (216.1725354)

CAS ID: 505-95-3

18-Hydroxycorticosterone

Formula: C21H30O5 (362.209313)

CAS ID: 561-65-9

2,3,7,8-Tetrachlorodibenzodioxin

Formula: C12H4Cl4O2 (319.8965404)

CAS ID: 1746-01-6

3,4-Dihydroxybenzoate

Formula: C7H6O4 (154.0266076)

CAS ID: 99-50-3

3beta-Hydroxypregn-5-en-20-one sulfate

Formula: C21H32O5S (396.1970342)

CAS ID: 1247-64-9

4-Cholesten-7alpha,12alpha-diol-3-one

Formula: C27H44O3 (416.3290274)

CAS ID: 1254-03-1

4-Hydroxycyclophosphamide

Formula: C7H15Cl2N2O3P (276.019731)

CAS ID: 40277-05-2

4-Methylpentanal

Formula: C6H12O (100.0888102)

CAS ID: 1119-16-0

4-Nitrophenol

Formula: C6H5NO3 (139.02694200000002)

CAS ID: 100-02-7

5-Hydroxyindoleacetaldehyde

Formula: C10H9NO2 (175.0633254)

CAS ID: 1892-21-3

6-Mercaptopurine

Formula: C5H4N4S (152.0156664)

CAS ID: 50-44-2

6-Methylmercaptopurine

Formula: C6H6N4S (166.0313156)

CAS ID: 50-66-8

6beta-Hydroxytestosterone

Formula: C19H28O3 (304.2038338)

CAS ID: 62-99-7

7alpha-Hydroxycholest-4-en-3-one

Formula: C27H44O2 (400.3341124)

CAS ID: 3862-25-7

7alpha-Hydroxycholesterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 566-26-7

9-cis-Retinoic acid

Formula: C20H28O2 (300.2089188)

CAS ID: 5300-03-8

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 B1-exo-8,9-epoxide

Formula: C17H12O7 (328.05830019999996)

CAS ID: 42583-46-0

Aflatoxin M1

Formula: C17H12O7 (328.05830019999996)

CAS ID: 6795-23-9

Aflatoxin Q1

Formula: C17H12O7 (328.05830019999996)

CAS ID: 52819-96-2

Aldosterone

Formula: C21H28O5 (360.1936638)

CAS ID: 52-39-1

all-trans-4-Hydroxyretinoic acid

Formula: C20H28O3 (316.2038338)

CAS ID: 66592-72-1

Ammonia

Formula: NH3 (17.0265478)

CAS ID: 7664-41-7

Androstenedione

Formula: C19H26O2 (286.1932696)

CAS ID: 63-05-8

Aromatic acid

Formula: C7H6O2 (122.0367776)

CAS ID: 65-85-0

Aromatic aldehyde

Formula: C7H6O (106.0418626)

CAS ID: 100-52-7

Aryl sulfate

Formula: C6H6O4S (173.9986796)

CAS ID: 937-34-8

Benzene

Formula: C6H6 (78.0469476)

CAS ID: 71-43-2

Benzo[a]pyrene-7,8-dione

Formula: C20H10O2 (282.068076)

CAS ID: 65199-11-3

Benzo[a]pyrene-cis-7,8-dihydrodiol

Formula: C20H14O2 (286.0993744)

CAS ID:

Cacodylate

Formula: C2H7AsO2 (137.9661982)

CAS ID: 75-60-5

Calcidiol

Formula: C27H44O2 (400.3341124)

CAS ID: 19356-17-3

Calcium cation

Formula: Ca (39.962591)

CAS ID: 14127-61-8

Carbon tetrachloride

Formula: CCl4 (151.875412)

CAS ID: 56-23-5

Carboxyphosphamide

Formula: C7H15Cl2N2O4P (292.014646)

CAS ID: 22788-18-7

Cerebrosterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 474-73-7

Chloroethylene oxide

Formula: C2H3ClO (77.9872418)

CAS ID: 7763-77-1

Cholest-5-ene-3beta,26-diol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 13095-61-9

Cholest-5-ene-3beta,7alpha,25-triol

Formula: C27H46O3 (418.34467659999996)

CAS ID: 64907-22-8

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

Corticosterone

Formula: C21H30O4 (346.214398)

CAS ID: 50-22-6

Cortisol

Formula: C21H30O5 (362.209313)

CAS ID: 50-23-7

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

Dopamine 3-O-sulfate

Formula: C8H11NO5S (233.0357916)

CAS ID: 51317-41-0

Estradiol-17beta

Formula: C18H24O2 (272.17762039999997)

CAS ID: 50-28-2

Estradiol-17beta 3-sulfate

Formula: C18H24O5S (352.1344374)

CAS ID: 481-96-9

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

Hydrogen

Formula: H2 (2.0156492)

CAS ID: 1333-74-0

Hydrogen peroxide

Formula: H2O2 (34.0054792)

CAS ID: 7722-84-1

Hydroquinone

Formula: C6H6O2 (110.0367776)

CAS ID: 123-31-9

Imidazole-4-acetaldehyde

Formula: C5H6N2O (110.0480106)

CAS ID: 645-14-7

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

Loperamide

Formula: C29H33ClN2O2 (476.22304280000003)

CAS ID: 53179-11-6

Magnesium cation

Formula: Mg (23.98505)

CAS ID: 22537-22-0

Manganese(2+)

Formula: Mn (54.938046)

CAS ID: 7439-96-5

Melatonin

Formula: C13H16N2O2 (232.1211716)

CAS ID: 73-31-4

Methanearsonous acid

Formula: CH5AsO2 (123.950549)

CAS ID: 25400-23-1

Methanol

Formula: CH4O (32.0262134)

CAS ID: 67-56-1

Mycophenolic acid O-acyl-glucuronide

Formula: C23H28O12 (496.1580688)

CAS ID: 99043-04-6

N-Hydroxy-2-acetamidofluorene

Formula: C15H13NO2 (239.09462380000002)

CAS ID: 53-95-2

N-Hydroxy-4-aminobiphenyl

Formula: C12H11NO (185.0840596)

CAS ID: 1204-79-1

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

Nicotinamide-beta-riboside

Formula: C11H15N2O5 (255.098092)

CAS ID: 1341-23-7

Olmesartan

Formula: C24H26N6O3 (446.20662860000004)

CAS ID: 144689-24-7

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

Phenol

Formula: C6H6O (94.0418626)

CAS ID: 108-95-2

Phenyl acetate

Formula: C8H8O2 (136.0524268)

CAS ID: 122-79-2

Potassium cation

Formula: K (38.963708)

CAS ID: 24203-36-9

Pregnenolone

Formula: C21H32O2 (316.24021719999996)

CAS ID: 145-13-1

Pyridine

Formula: C5H5N (79.042197)

CAS ID: 110-86-1

Resveratrol

Formula: C14H12O3 (228.0786402)

CAS ID: 501-36-0

Retinoate

Formula: C20H28O2 (300.2089188)

CAS ID: 302-79-4

S-(Hydroxymethyl)glutathione

Formula: C11H19N3O7S (337.0943664)

CAS ID: 32260-87-0

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

Testosterone

Formula: C19H28O2 (288.2089188)

CAS ID: 58-22-0

Thiamazole

Formula: C4H6N2S (114.02516759999999)

CAS ID: 60-56-0

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-Hydroxydebrisoquine

Formula: C10H13N3O (191.1058568)

CAS ID: 59333-79-8

4-Nitrophenyl sulfate

Formula: C6H5NO6S (218.983759)

CAS ID: 1080-04-2

3-Methylene-indolenine

Formula: C9H7N (129.0578462)

CAS ID: 40642-83-9

Doxorubicinol

Formula: C27H31NO11 (545.1897016)

CAS ID: 54193-28-1

Paracetamol sulfate

Formula: C8H9NO5S (231.0201424)

CAS ID: 10066-90-7

Dextrorphan

Formula: C17H23NO (257.1779548)

CAS ID: 125-73-5

NAPQI

Formula: C8H7NO2 (149.0476762)

CAS ID: 50700-49-7

3-amino-propanal

Formula: C3H8NO (74.0605858)

CAS ID:

7alpha,12alpha,26-trihydroxycholest-4-en-3-one

Formula: C27H44O4 (432.3239424)

CAS ID:

L-argininium(1+)

Formula: C6H15N4O2 (175.119495)

CAS ID: 17806-42-7

3alpha-(Sulfonatooxy)-5beta-cholan-24-oate

Formula: C24H38O6S (454.2388968)

CAS ID:

3,3'-Diiodo-L-thyronine

Formula: C15H13I2NO4 (524.8934078000001)

CAS ID: 70-40-6

4-Hydroperoxycyclophosphamide

Formula: C7H15Cl2N2O4P (292.014646)

CAS ID: 39800-16-3

4-Nitrophenyl butyrate

Formula: C10H11NO4 (209.0688046)

CAS ID: 2635-84-9

N-desmethyl loperamide

Formula: C28H31ClN2O2 (462.2073936)

CAS ID: 66164-07-6

Olmesartan medoxomil

Formula: C29H30N6O6 (558.222672)

CAS ID: 144689-63-4

Salicylates

Formula: C7H5O3 (137.023868)

CAS ID: 63-36-5

formate

Formula: CHO2 (44.997654600000004)

CAS ID: 71-47-6

7alpha,24S-dihydroxycholest-4-en-3-one

Formula: C27H44O3 (416.3290274)

CAS ID:

26-hydroxycholesterol 3-sulfate

Formula: C27H46O5S (482.3065786)

CAS ID:

9-cis-4-hydroxyretinoic acid

Formula: C20H28O3 (316.2038338)

CAS ID:

acetate

Formula: C2H3O2 (59.0133038)

CAS ID: 71-50-1

prostaglandin I2(1-)

Formula: C20H31O5 (351.2171376)

CAS ID:

butyrate

Formula: C4H7O2 (87.0446022)

CAS ID: 461-55-2

dodecanoate

Formula: C12H23O2 (199.1697958)

CAS ID: 115-05-9

lithocholate

Formula: C24H39O3 (375.28990439999995)

CAS ID:

mycophenolate

Formula: C17H19O6 (319.1181574)

CAS ID:

5-oxo-L-prolinate

Formula: C5H6NO3 (128.0347666)

CAS ID:

dimethylarsinate

Formula: C2H6AsO2 (136.9583736)

CAS ID: 15132-04-4

dehydroepiandrosterone sulfate(1-)

Formula: C19H27O5S (367.1579112)

CAS ID: 129509-11-1

benzoyl-CoA(4-)

Formula: C28H36N7O17P3S (867.1101196000001)

CAS ID:

adenosine 5'-monophosphate(2-)

Formula: C10H12N5O7P (345.0474332)

CAS ID:

NADPH(4-)

Formula: C21H26N7O17P3 (741.0598016)

CAS ID: 53-57-6

ATP(4-)

Formula: C10H12N5O13P3 (502.9644492)

CAS ID:

UDP-alpha-D-glucose(2-)

Formula: C15H22N2O17P2 (564.0393702)

CAS ID:

NADH(2-)

Formula: C21H27N7O14P2 (663.1091182000001)

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

histaminium

Formula: C5H10N3 (112.087468)

CAS ID: 65592-96-3

dopaminium(1+)

Formula: C8H12NO2 (154.0867992)

CAS ID:

serotonin(1+)

Formula: C10H13N2O (177.1027828)

CAS ID:

2-acetamidofluorene N-sulfate

Formula: C15H13NO5S (319.0514408)

CAS ID: 16808-85-8

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
1.6.-.-
1.1.1.2 alcohol dehydrogenase (NADP+) alcohol:NADP+ oxidoreductase
3.1.3.25 inositol-phosphate phosphatase myo-inositol-phosphate phosphohydrolase
3.5.1.114 N-acyl-aromatic-L-amino acid amidohydrolase N-acyl-aromatic-L-amino acid amidohydrolase (carboxylate-forming)
4.1.1.35 UDP-glucuronate decarboxylase UDP-D-glucuronate carboxy-lyase (UDP-D-xylose-forming)


Proteins

Protein ID name full name