Metabolism

Metabolites

(R)-3-Hydroxybutanoate

Formula: C4H8O3 (104.0473418)

CAS ID: 625-72-9

(S)-2,3-Epoxysqualene

Formula: C30H50O (426.386145)

CAS ID: 54910-48-4

1-Hexadecanol

Formula: C16H34O (242.26095139999998)

CAS ID: 36653-82-4

1-Methylnicotinamide

Formula: C7H9N2O (137.0714844)

CAS ID: 3106-60-3

1,5-Anhydro-D-fructose

Formula: C6H10O5 (162.052821)

CAS ID: 75414-43-6

1,7-Dimethylxanthine

Formula: C7H8N4O2 (180.0647228)

CAS ID: 611-59-6

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-Iminobutanoate

Formula: C4H7NO2 (101.0476762)

CAS ID: 4250-86-6

24,25-Dihydrolanosterol

Formula: C30H52O (428.4017942)

CAS ID: 79-62-9

3-Acetamidopropanal

Formula: C5H9NO2 (115.0633254)

CAS ID: 73323-68-9

3-Iodo-L-tyrosine

Formula: C9H10INO3 (306.970542)

CAS ID: 70-78-0

3,4-Dihydroxybenzoate

Formula: C7H6O4 (154.0266076)

CAS ID: 99-50-3

4-Aminobiphenyl

Formula: C12H11N (169.0891446)

CAS ID: 92-67-1

4-Hydroxy-17beta-estradiol

Formula: C18H24O3 (288.1725354)

CAS ID: 5976-61-4

4-Hydroxycyclophosphamide

Formula: C7H15Cl2N2O3P (276.019731)

CAS ID: 40277-05-2

4-Hydroxyphenylacetaldehyde

Formula: C8H8O2 (136.0524268)

CAS ID: 7339-87-9

4-Methylpentanal

Formula: C6H12O (100.0888102)

CAS ID: 1119-16-0

4-Nitrophenol

Formula: C6H5NO3 (139.02694200000002)

CAS ID: 100-02-7

4-Trimethylammoniobutanal

Formula: C7H16NO (130.1231826)

CAS ID: 64595-66-0

5-Hydroxyindoleacetaldehyde

Formula: C10H9NO2 (175.0633254)

CAS ID: 1892-21-3

5,6-DHET

Formula: C20H34O4 (338.24569640000004)

CAS ID: 213382-49-1

5,6-Dihydrouracil

Formula: C4H6N2O2 (114.04292559999999)

CAS ID: 504-07-4

5'-Deoxyadenosine

Formula: C10H13N5O3 (251.10183480000003)

CAS ID: 4754-39-6

5'-Methylthioadenosine

Formula: C11H15N5O3S (297.089556)

CAS ID: 2457-80-9

6-Mercaptopurine

Formula: C5H4N4S (152.0156664)

CAS ID: 50-44-2

6-Methylmercaptopurine

Formula: C6H6N4S (166.0313156)

CAS ID: 50-66-8

6-Pyruvoyltetrahydropterin

Formula: C9H11N5O3 (237.0861856)

CAS ID: 89687-39-8

6beta-Hydroxytestosterone

Formula: C19H28O3 (304.2038338)

CAS ID: 62-99-7

7-Dehydrocholesterol

Formula: C27H44O (384.3391974)

CAS ID: 434-16-2

7-Dehydrodesmosterol

Formula: C27H42O (382.3235482)

CAS ID: 1715-86-2

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

Acetoacetate

Formula: C4H6O3 (102.0316926)

CAS ID: 541-50-4

Acetylcholine

Formula: C7H16NO2 (146.1180976)

CAS ID: 51-84-3

Adenine

Formula: C5H5N5 (135.054493)

CAS ID: 73-24-5

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

Aflatoxin Q1

Formula: C17H12O7 (328.05830019999996)

CAS ID: 52819-96-2

Aldosterone

Formula: C21H28O5 (360.1936638)

CAS ID: 52-39-1

alpha-D-Galactose

Formula: C6H12O6 (180.0633852)

CAS ID: 3646-73-9

alpha-Tocopherol

Formula: C29H50O2 (430.38106)

CAS ID: 59-02-9

Ammonia

Formula: NH3 (17.0265478)

CAS ID: 7664-41-7

Anandamide

Formula: C22H37NO2 (347.2824142)

CAS ID: 94421-68-8

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-4,5-oxide

Formula: C20H12O (268.0888102)

CAS ID: 37574-47-3

Benzo[a]pyrene-7,8-dione

Formula: C20H10O2 (282.068076)

CAS ID: 65199-11-3

beta-Carotene

Formula: C40H56 (536.4381776)

CAS ID: 7235-40-7

beta-D-Galactose

Formula: C6H12O6 (180.0633852)

CAS ID: 7296-64-2

beta-Ionone

Formula: C13H20O (192.151407)

CAS ID: 79-77-6

Betaine

Formula: C5H11NO2 (117.0789746)

CAS ID: 107-43-7

Betaine aldehyde

Formula: C5H12NO (102.0918842)

CAS ID: 7418-61-3

Biotin

Formula: C10H16N2O3S (244.08815859999999)

CAS ID: 58-85-5

Cacodylate

Formula: C2H7AsO2 (137.9661982)

CAS ID: 75-60-5

Caffeine

Formula: C8H10N4O2 (194.080372)

CAS ID: 58-08-2

Calcidiol

Formula: C27H44O2 (400.3341124)

CAS ID: 19356-17-3

Calcitriol

Formula: C27H44O3 (416.3290274)

CAS ID: 32222-06-3

Calcitroic acid

Formula: C23H34O4 (374.24569640000004)

CAS ID: 71204-89-2

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

CDP-choline

Formula: C14H26N4O11P2 (488.10732659999996)

CAS ID: 987-78-0

Cerebrosterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 474-73-7

Chloroethylene oxide

Formula: C2H3ClO (77.9872418)

CAS ID: 7763-77-1

Cholesterol

Formula: C27H46O (386.3548466)

CAS ID: 57-88-5

Choline

Formula: C5H14NO (104.10753340000001)

CAS ID: 62-49-7

Choline phosphate

Formula: C5H15NO4P (184.07386599999998)

CAS ID: 107-73-3

Cl-

Formula: Cl (34.968853)

CAS ID: 16887-00-6

CO

Formula: CO (27.994915)

CAS ID: 630-08-0

CO2

Formula: CO2 (43.98983)

CAS ID: 124-38-9

Cobalt

Formula: Co (58.933198)

CAS ID: 7440-48-4

Cocaine

Formula: C17H21NO4 (303.1470506)

CAS ID: 50-36-2

Copper

Formula: Cu (62.929599)

CAS ID: 7440-50-8

Corticosterone

Formula: C21H30O4 (346.214398)

CAS ID: 50-22-6

Cortisol

Formula: C21H30O5 (362.209313)

CAS ID: 50-23-7

Cortisone

Formula: C21H28O5 (360.1936638)

CAS ID: 53-06-5

Coumarin

Formula: C9H6O2 (146.0367776)

CAS ID: 91-64-5

Cu+

Formula: Cu (62.929599)

CAS ID: 17493-86-6

Cyclophosphamide

Formula: C7H15Cl2N2O2P. H2O (278.0353802)

CAS ID: 6055-19-2

D-Fructose

Formula: C6H12O6 (180.0633852)

CAS ID: 57-48-7

D-Glucose

Formula: C6H12O6 (180.0633852)

CAS ID: 50-99-7

D-Glyceraldehyde

Formula: C3H6O3 (90.0316926)

CAS ID: 453-17-8

D-Mannose

Formula: C6H12O6 (180.0633852)

CAS ID: 3458-28-4

D-Ribose

Formula: C5H10O5 (150.052821)

CAS ID: 50-69-1

D-Sorbitol

Formula: C6H14O6 (182.0790344)

CAS ID: 50-70-4

Debrisoquin

Formula: C10H13N3 (175.1109418)

CAS ID: 1131-64-2

Dehydroepiandrosterone

Formula: C19H28O2 (288.2089188)

CAS ID: 53-43-0

Desmosterol

Formula: C27H44O (384.3391974)

CAS ID: 313-04-2

Dihydrotestosterone

Formula: C19H30O2 (290.224568)

CAS ID: 521-18-6

Dinitrochlorobenzene

Formula: C6H3ClN2O4 (201.9781348)

CAS ID: 97-00-7

Docosanoyl-CoA

Formula: C43H78N7O17P3S (1089.4387528000002)

CAS ID: 24330-89-0

Dopamine 3-O-sulfate

Formula: C8H11NO5S (233.0357916)

CAS ID: 51317-41-0

Estradiol-17beta

Formula: C18H24O2 (272.17762039999997)

CAS ID: 50-28-2

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

Ethanolamine phosphate

Formula: C2H8NO4P (141.0190938)

CAS ID: 1071-23-4

Ethylene

Formula: C2H4 (28.0312984)

CAS ID: 74-85-1

Ethylene oxide

Formula: C2H4O (44.0262134)

CAS ID: 75-21-8

Fe2+

Formula: Fe (55.934939)

CAS ID: 15438-31-0

Fe3+

Formula: Fe (55.934939)

CAS ID: 7439-89-6

Formaldehyde

Formula: CH2O (30.0105642)

CAS ID: 50-00-0

Glutathione

Formula: C10H17N3O6S (307.08380220000004)

CAS ID: 70-18-8

Glycerol

Formula: C3H8O3 (92.0473418)

CAS ID: 56-81-5

Guanidinoacetate

Formula: C3H7N3O2 (117.0538242)

CAS ID: 352-97-6

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

HCO3-

Formula: HCO3 (60.9925696)

CAS ID: 71-52-3

Hexadecanal

Formula: C16H32O (240.2453022)

CAS ID: 629-80-1

Hexadecenal

Formula: C16H30O (238.22965299999998)

CAS ID: 3163-37-9

HSO3-

Formula: HSO3 (80.96464160000001)

CAS ID: 15181-46-1

Hydrochloric acid

Formula: HCl (35.9766776)

CAS ID: 7647-01-0

Hydrogen

Formula: H2 (2.0156492)

CAS ID: 1333-74-0

Hydrogen cyanide

Formula: CHN (27.010898599999997)

CAS ID: 74-90-8

Hydrogen peroxide

Formula: H2O2 (34.0054792)

CAS ID: 7722-84-1

Hydroiodic acid

Formula: HI (127.9123016)

CAS ID: 10034-85-2

Hydroquinone

Formula: C6H6O2 (110.0367776)

CAS ID: 123-31-9

Indole

Formula: C8H7N (117.0578462)

CAS ID: 120-72-9

Indolin-2-one

Formula: C8H7NO (133.0527612)

CAS ID: 59-48-3

Iodide

Formula: I (126.904477)

CAS ID: 20461-54-5

Iodine

Formula: I2 (253.808954)

CAS ID: 7553-56-2

L-Carnitine

Formula: C7H15NO3 (161.105188)

CAS ID: 541-15-1

L-Formylkynurenine

Formula: C11H12N2O4 (236.07970319999998)

CAS ID: 1022-31-7

L-Palmitoylcarnitine

Formula: C23H45NO4 (399.33484100000004)

CAS ID: 2364-67-2

Lanosterol

Formula: C30H50O (426.386145)

CAS ID: 79-63-0

Lathosterol

Formula: C27H46O (386.3548466)

CAS ID: 80-99-9

Lead

Formula: Pb (207.976641)

CAS ID: 7439-92-1

Linoleate

Formula: C18H32O2 (280.2402172)

CAS ID: 60-33-3

Linoleoyl-CoA

Formula: C39H66N7O17P3S (1029.3448576)

CAS ID: 6709-57-5

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

Malonaldehyde

Formula: C3H4O2 (72.0211284)

CAS ID: 542-78-9

Manganese(2+)

Formula: Mn (54.938046)

CAS ID: 7439-96-5

Melatonin

Formula: C13H16N2O2 (232.1211716)

CAS ID: 73-31-4

Menadione

Formula: C11H8O2 (172.0524268)

CAS ID: 58-27-5

Methanearsonous acid

Formula: CH5AsO2 (123.950549)

CAS ID: 25400-23-1

Methanol

Formula: CH4O (32.0262134)

CAS ID: 67-56-1

Methylglyoxal

Formula: C3H4O2 (72.0211284)

CAS ID: 78-98-8

Methylmalonyl-CoA

Formula: C25H40N7O19P3S (867.131248)

CAS ID: 1264-45-5

Molybdopterin

Formula: C10H14N5O6PS2 (395.01231140000004)

CAS ID: 220399-50-8

myo-Inositol

Formula: C6H12O6 (180.0633852)

CAS ID: 87-89-8

N-Acetyl-D-galactosamine

Formula: C8H15NO6 (221.089933)

CAS ID: 14215-68-0

N-Acetyl-L-glutamate

Formula: C7H11NO5 (189.0637196)

CAS ID: 1188-37-0

N-Acetylserotonin

Formula: C12H14N2O2 (218.1055224)

CAS ID: 1210-83-9

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

Formula: C6H6N2O (122.0480106)

CAS ID: 98-92-0

Nicotinamide-beta-riboside

Formula: C11H15N2O5 (255.098092)

CAS ID: 1341-23-7

Nitric oxide

Formula: NO (29.997989)

CAS ID: 10102-43-9

O-Propanoylcarnitine

Formula: C10H19NO4 (217.1314014)

CAS ID: 20064-19-1

Olmesartan

Formula: C24H26N6O3 (446.20662860000004)

CAS ID: 144689-24-7

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

Palmityl palmitate

Formula: C32H64O2 (480.4906044)

CAS ID: 540-10-3

Phenacetin

Formula: C10H13NO2 (179.09462380000002)

CAS ID: 62-44-2

Phenethylamine

Formula: C8H11N (121.0891446)

CAS ID: 64-04-0

Phenol

Formula: C6H6O (94.0418626)

CAS ID: 108-95-2

Phenyl acetate

Formula: C8H8O2 (136.0524268)

CAS ID: 122-79-2

Phenylacetaldehyde

Formula: C8H8O (120.0575118)

CAS ID: 122-78-1

Phenytoin

Formula: C15H12N2O2 (252.0898732)

CAS ID: 57-41-0

Potassium cation

Formula: K (38.963708)

CAS ID: 24203-36-9

PQQ

Formula: C14H6N2O8 (330.0124156)

CAS ID: 72909-34-3

Pregnenolone

Formula: C21H32O2 (316.24021719999996)

CAS ID: 145-13-1

Progesterone

Formula: C21H30O2 (314.224568)

CAS ID: 57-83-0

Pseudouridine

Formula: C9H12N2O6 (244.0695332)

CAS ID: 1445-07-4

Pyridine

Formula: C5H5N (79.042197)

CAS ID: 110-86-1

Pyridoxal

Formula: C8H9NO3 (167.0582404)

CAS ID: 66-72-8

Pyridoxamine

Formula: C8H12N2O2 (168.0898732)

CAS ID: 85-87-0

Pyridoxine

Formula: C8H11NO3 (169.0738896)

CAS ID: 65-23-6

Pyridoxine phosphate

Formula: C8H12NO6P (249.0402222)

CAS ID: 447-05-2

Resveratrol

Formula: C14H12O3 (228.0786402)

CAS ID: 501-36-0

Retinal

Formula: C20H28O (284.2140038)

CAS ID: 116-31-4

Retinoate

Formula: C20H28O2 (300.2089188)

CAS ID: 302-79-4

Retinol

Formula: C20H30O (286.229653)

CAS ID: 68-26-8

Retinyl palmitate

Formula: C36H60O2 (524.459306)

CAS ID: 79-81-2

Ribitol

Formula: C5H12O5 (152.06847019999998)

CAS ID: 488-81-3

S-Formylglutathione

Formula: C11H17N3O7S (335.0787172)

CAS ID: 50409-81-9

S-Methyl-L-methionine

Formula: C6H14NO2S (164.0745204)

CAS ID: 6708-35-6

Salicyluric acid

Formula: C9H9NO4 (195.0531554)

CAS ID: 487-54-7

Skatole

Formula: C9H9N (131.0734954)

CAS ID: 83-34-1

Sodium cation

Formula: Na (22.98977)

CAS ID: 17341-25-2

Squalene

Formula: C30H50 (410.39123)

CAS ID: 111-02-4

Succinate

Formula: C4H6O4 (118.0266076)

CAS ID: 110-15-6

Sulfate

Formula: H2SO4 (97.9673812)

CAS ID: 7664-93-9

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

Thiamin triphosphate

Formula: C12H20N4O10P3S (505.011299)

CAS ID: 15666-52-1

Thiamine

Formula: C12H17N4OS (265.1123012)

CAS ID: 70-16-6

Thymidine

Formula: C10H14N2O5 (242.09026740000002)

CAS ID: 50-89-5

Thymine

Formula: C5H6N2O2 (126.04292559999999)

CAS ID: 65-71-4

Trimethylamine

Formula: C3H9N (59.0734954)

CAS ID: 75-50-3

Trimethylamine N-oxide

Formula: C3H9NO (75.0684104)

CAS ID: 1184-78-7

Tyramine

Formula: C8H11NO (137.0840596)

CAS ID: 51-67-2

Ubiquinone-10

Formula: C59H90O4 (862.683874)

CAS ID: 303-98-0

Umbelliferone

Formula: C9H6O3 (162.03169259999999)

CAS ID: 93-35-6

Uracil

Formula: C4H4N2O2 (112.02727639999999)

CAS ID: 66-22-8

Urate

Formula: C5H4N4O3 (168.0283394)

CAS ID: 69-93-2

Urea

Formula: CH4N2O (60.0323614)

CAS ID: 57-13-6

Vinyl chloride

Formula: C2H3Cl (61.9923268)

CAS ID: 75-01-4

Vitamin D3

Formula: C27H44O (384.3391974)

CAS ID: 67-97-0

Xanthine

Formula: C5H4N4O2 (152.0334244)

CAS ID: 69-89-6

Zinc cation

Formula: Zn (63.929145)

CAS ID: 23713-49-7

Zymosterol

Formula: C27H44O (384.3391974)

CAS ID: 128-33-6

Zymosterone

Formula: C27H42O (382.3235482)

CAS ID: 27192-37-6

Glycerophosphocholine

Formula: C8H20NO6P (257.102819)

CAS ID: 28319-77-9

Thiocyanate

Formula: CNS (57.975145999999995)

CAS ID: 302-04-5

Pristanal

Formula: C19H38O (282.2922498)

CAS ID: 105373-75-9

trans-3-Decenoyl-CoA

Formula: C31H52N7O17P3S (919.2353132)

CAS ID: 6410-54-4

Nitrate

Formula: NO3 (61.987819)

CAS ID: 14797-55-8

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

Cer(d18:0/16:0)

Formula: C34H69NO3 (539.5277164)

CAS ID: 5966-29-0

Ubiquinol-10

Formula: C59H92O4 (864.6995231999999)

CAS ID: 5677-55-4

Menatetrenone

Formula: C31H40O2 (444.302814)

CAS ID: 863-61-6

Hebevinoside I

Formula: C44H72O13 (808.4972662)

CAS ID: 87396-30-3

Doxorubicinol

Formula: C27H31NO11 (545.1897016)

CAS ID: 54193-28-1

4-Hydroxyphenytoin

Formula: C15H12N2O3 (268.0847882)

CAS ID: 2784-27-2

QH(2)

Formula: C14H20O4 (252.136152)

CAS ID: 52590-98-4

Isohexanol

Formula: C6H14O (102.10445940000001)

CAS ID: 1320-98-5

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:

pregn-5-ene-3,20-dione

Formula: C21H30O2 (314.224568)

CAS ID: 1236-09-5

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

N-desmethyl loperamide

Formula: C28H31ClN2O2 (462.2073936)

CAS ID: 66164-07-6

Olmesartan medoxomil

Formula: C29H30N6O6 (558.222672)

CAS ID: 144689-63-4

Sulfanegen

Formula: C6H8O6S2 (239.9762308)

CAS ID: 80003-64-1

Salicylates

Formula: C7H5O3 (137.023868)

CAS ID: 63-36-5

2-oxo-3-phenylpropanoate

Formula: C9H7O3 (163.0395172)

CAS ID: 620-76-8

acetoacetate

Formula: C4H5O3 (101.02386800000001)

CAS ID: 141-81-1

formate

Formula: CHO2 (44.997654600000004)

CAS ID: 71-47-6

Glycerol 1-myristate

Formula: C17H34O4 (302.2456964)

CAS ID: 27214-38-6

18R-HpEPE

Formula: C20H30O4 (334.214398)

CAS ID:

14,15-LTC4

Formula: C30H47N3O9S (625.3032852)

CAS ID: 75290-60-7

17R-HpDHA

Formula: C22H32O4 (360.2300472)

CAS ID:

Acetyl-L-carnitine

Formula: C9H17NO4 (203.1157522)

CAS ID: 3040-38-8

22S-hydroxycholesterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 22348-64-7

gulonate

Formula: C6H11O7 (195.0504756)

CAS ID: 2002-49-5

D-glucopyranuronate

Formula: C6H9O7 (193.0348264)

CAS ID: 148-00-5

oxaloacetate(2-)

Formula: C4H2O5 (129.9902242)

CAS ID: 149-63-3

biliverdin(2-)

Formula: C33H32N4O6 (580.2321732)

CAS ID: 114-25-0

2-oxoglutarate(2-)

Formula: C5H4O5 (144.00587339999998)

CAS ID: 64-15-3

succinate(2-)

Formula: C4H4O4 (116.01095839999999)

CAS ID: 56-14-4

butenedioate

Formula: C4H2O4 (113.99530920000001)

CAS ID: 17013-01-3

oxalate(2-)

Formula: C2O4 (87.97966)

CAS ID: 338-70-5

ferriheme a3(1-)

Formula: C49H60FeN4O6 (856.386201)

CAS ID: 58916-42-0

acetate

Formula: C2H3O2 (59.0133038)

CAS ID: 71-50-1

dichloroacetate

Formula: C2HCl2O2 (126.93536060000001)

CAS ID: 13425-80-4

homogentisate

Formula: C8H7O4 (167.0344322)

CAS ID:

glycolate

Formula: C2H3O3 (75.00821880000001)

CAS ID: 666-14-8

pyruvate

Formula: C3H3O3 (87.00821880000001)

CAS ID: 57-60-3

3-(4-hydroxyphenyl)pyruvate

Formula: C9H7O4 (179.0344322)

CAS ID: 622-54-8

2-oxoglutaramate

Formula: C5H6NO4 (144.0296816)

CAS ID: 18465-19-5

glyoxylate

Formula: C2HO3 (72.9925696)

CAS ID:

lipoxin B4(1-)

Formula: C20H31O5 (351.2171376)

CAS ID: 98049-69-5

oleate

Formula: C18H33O2 (281.2480418)

CAS ID: 115-06-0

hexadecanoate

Formula: C16H31O2 (255.2323926)

CAS ID: 143-20-4

(R)-mevalonate

Formula: C6H11O4 (147.0657306)

CAS ID: 1192-42-3

4-hydroxybutyrate

Formula: C4H7O3 (103.0395172)

CAS ID: 1320-61-2

butyrate

Formula: C4H7O2 (87.0446022)

CAS ID: 461-55-2

dodecanoate

Formula: C12H23O2 (199.1697958)

CAS ID: 115-05-9

4-hydroxybenzoate

Formula: C7H5O3 (137.023868)

CAS ID: 456-23-5

cholate

Formula: C24H39O5 (407.2797344)

CAS ID: 298-43-1

nicotinate

Formula: C6H4NO2 (122.0242024)

CAS ID:

mycophenolate

Formula: C17H19O6 (319.1181574)

CAS ID:

citrate(3-)

Formula: C6H5O7 (189.00352800000002)

CAS ID: 126-44-3

dimethylarsinate

Formula: C2H6AsO2 (136.9583736)

CAS ID: 15132-04-4

sulfite

Formula: O3S (79.956817)

CAS ID: 14265-45-3

palmitoyl-CoA(4-)

Formula: C37H62N7O17P3S (1001.3135592)

CAS ID: 1763-10-6

NADPH(4-)

Formula: C21H26N7O17P3 (741.0598016)

CAS ID: 53-57-6

ATP(4-)

Formula: C10H12N5O13P3 (502.9644492)

CAS ID:

GTP(4-)

Formula: C10H12N5O14P3 (518.9593642)

CAS ID: 86527-72-2

NAD(1-)

Formula: C21H26N7O14P2 (662.1012936000001)

CAS ID: 53-84-9

UDP(3-)

Formula: C9H11N2O12P2 (400.9787246)

CAS ID: 86527-70-0

ADP(3-)

Formula: C10H12N5O10P2 (424.0059412)

CAS ID:

3',5'-cyclic AMP(1-)

Formula: C10H11N5O6P (328.0446936)

CAS ID: 62906-31-4

NADP(3-)

Formula: C21H25N7O17P3 (740.051977)

CAS ID: 53-59-8

dTMP(2-)

Formula: C10H13N2O8P (320.0409508)

CAS ID: 14057-65-9

L-lysinium(1+)

Formula: C6H15N2O2 (147.113347)

CAS ID: 56-87-1

histaminium

Formula: C5H10N3 (112.087468)

CAS ID: 65592-96-3

methylammonium

Formula: CH6N (32.0500216)

CAS ID: 17000-00-9

hydrosulfide

Formula: HS (32.979896600000004)

CAS ID: 15035-72-0

trifluoroacetyl chloride

Formula: C2ClF3O (131.9589776)

CAS ID: 354-32-5

dipyrromethane

Formula: C9H10N2 (146.084394)

CAS ID: 21211-65-4

methylarsonate(1-)

Formula: CH4AsO3 (138.9376394)

CAS ID: 51952-66-0



Enzyme

EC Number name full name note
1.1.5.-
1.1.1.145 3beta-hydroxy-DELTA5-steroid dehydrogenase 3beta-hydroxy-DELTA5-steroid:NAD+ 3-oxidoreductase
1.1.1.211 long-chain-3-hydroxyacyl-CoA dehydrogenase long-chain-(S)-3-hydroxyacyl-CoA:NAD+ oxidoreductase
1.1.1.263 1,5-anhydro-D-fructose reductase 1,5-anhydro-D-glucitol:NADP+ oxidoreductase
1.1.1.35 3-hydroxyacyl-CoA dehydrogenase (S)-3-hydroxyacyl-CoA:NAD+ oxidoreductase
1.1.1.37 malate dehydrogenase (S)-malate:NAD+ oxidoreductase
1.1.1.399 2-oxoglutarate reductase (R)-2-hydroxyglutarate,NAD+ 2-oxidireductase
1.1.1.95 phosphoglycerate dehydrogenase 3-phospho-D-glycerate:NAD+ 2-oxidoreductase
1.11.1.12 phospholipid-hydroperoxide glutathione peroxidase glutathione:lipid-hydroperoxide oxidoreductase
1.11.1.9 glutathione peroxidase glutathione:hydrogen-peroxide oxidoreductase
1.13.11.12 linoleate 13S-lipoxygenase linoleate:oxygen 13-oxidoreductase
1.13.11.31 arachidonate 12-lipoxygenase arachidonate:oxygen 12-oxidoreductase
1.13.11.33 arachidonate 15-lipoxygenase arachidonate:oxygen 15-oxidoreductase
1.14.13.148 trimethylamine monooxygenase N,N,N-trimethylamine,NADPH:oxygen oxidoreductase (N-oxide-forming)
1.14.13.8 flavin-containing monooxygenase N,N-dimethylaniline,NADPH:oxygen oxidoreductase (N-oxide-forming)
1.14.14.154 sterol 14alpha-demethylase sterol,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (14-methyl cleaving)
1.14.14.16 steroid 21-monooxygenase steroid,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
1.14.14.19 steroid 17alpha-monooxygenase steroid,NADPH-hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating)
1.14.14.32 17alpha-hydroxyprogesterone deacetylase 17alpha-hydroxyprogesterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating, acetate-releasing)
1.14.15.6 cholesterol monooxygenase (side-chain-cleaving) cholesterol,reduced-adrenal-ferredoxin:oxygen oxidoreductase (side-chain-cleaving)
1.2.1.19 aminobutyraldehyde dehydrogenase 4-aminobutanal:NAD+ 1-oxidoreductase
1.2.1.3 aldehyde dehydrogenase (NAD+) aldehyde:NAD+ oxidoreductase
1.2.1.46 formaldehyde dehydrogenase formaldehyde:NAD+ oxidoreductase
1.2.1.47 4-trimethylammoniobutyraldehyde dehydrogenase 4-trimethylammoniobutanal:NAD+ 1-oxidoreductase
1.20.4.2 methylarsonate reductase glutathione:methylarsonate oxidoreductase
1.21.99.3 thyroxine 5-deiodinase 3,3',5'-triiodo-L-thyronine,iodide:acceptor oxidoreductase (iodinating)
1.21.99.4 thyroxine 5'-deiodinase 3,3',5-triiodo-L-thyronine,iodide:acceptor oxidoreductase (iodinating)
1.3.5.1 succinate dehydrogenase succinate:quinone oxidoreductase
1.3.8.7 medium-chain acyl-CoA dehydrogenase medium-chain acyl-CoA:electron-transfer flavoprotein 2,3-oxidoreductase
1.3.8.8 long-chain acyl-CoA dehydrogenase long-chain acyl-CoA:electron-transfer flavoprotein 2,3-oxidoreductase
1.4.3.3 D-amino-acid oxidase D-amino-acid:oxygen oxidoreductase (deaminating)
1.8.5.1 glutathione dehydrogenase (ascorbate) glutathione:dehydroascorbate oxidoreductase
2.1.1.28 phenylethanolamine N-methyltransferase S-adenosyl-L-methionine:phenylethanolamine N-methyltransferase
2.1.4.1 glycine amidinotransferase L-arginine:glycine amidinotransferase
2.2.1.2 transaldolase sedoheptulose-7-phosphate:D-glyceraldehyde-3-phosphate glyceronetransferase
2.3.1.6 choline O-acetyltransferase acetyl-CoA:choline O-acetyltransferase
2.3.3.1 citrate (Si)-synthase acetyl-CoA:oxaloacetate C-acetyltransferase [thioester-hydrolysing, (pro-S)-carboxymethyl forming]
2.3.3.10 hydroxymethylglutaryl-CoA synthase acetyl-CoA:acetoacetyl-CoA C-acetyltransferase (thioester-hydrolysing, carboxymethyl-forming)
2.4.1.206 lactosylceramide 1,3-N-acetyl-beta-D-glucosaminyltransferase UDP-N-acetyl-D-glucosamine:beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide 3-beta-N-acetylglucosaminyltransferase
2.4.1.274 glucosylceramide beta-1,4-galactosyltransferase UDP-galactose:beta-D-glucosyl-(1<->1)-ceramide beta-1,4-galactosyltransferase
2.4.1.344 type 2 galactoside alpha-(1,2)-fucosyltransferase GDP-beta-L-fucose:beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-R alpha-(1,2)-L-fucosyltransferase (configuration-inverting)
2.4.1.69 type 1 galactoside alpha-(1,2)-fucosyltransferase GDP-beta-L-fucose:beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-R alpha-(1,2)-L-fucosyltransferase (configuration-inverting)
2.4.1.79 globotriaosylceramide 3-beta-N-acetylgalactosaminyltransferase UDP-N-acetyl-D-galactosamine:alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide III3-beta-N-acetyl-D-galactosaminyltransferase
2.4.2.12 nicotinamide phosphoribosyltransferase nicotinamide-D-ribonucleotide:diphosphate phospho-alpha-D-ribosyltransferase
2.4.2.19 nicotinate-nucleotide diphosphorylase (carboxylating) nicotinate-D-ribonucleotide:diphosphate phospho-alpha-D-ribosyltransferase (carboxylating)
2.4.2.8 hypoxanthine phosphoribosyltransferase IMP:diphosphate phospho-D-ribosyltransferase
2.5.1.18 glutathione transferase RX:glutathione R-transferase
2.6.1.1 aspartate transaminase L-aspartate:2-oxoglutarate aminotransferase
2.6.1.3 cysteine transaminase L-cysteine:2-oxoglutarate aminotransferase
2.6.1.7 kynurenine-oxoglutarate transaminase L-kynurenine:2-oxoglutarate aminotransferase
2.7.11.1 non-specific serine/threonine protein kinase ATP:protein phosphotransferase (non-specific)
2.7.11.31 [hydroxymethylglutaryl-CoA reductase (NADPH)] kinase ATP:[hydroxymethylglutaryl-CoA reductase (NADPH)] phosphotransferase
2.7.13.3 histidine kinase ATP:protein-L-histidine N-phosphotransferase
2.7.2.3 phosphoglycerate kinase ATP:3-phospho-D-glycerate 1-phosphotransferase
2.7.4.14 UMP/CMP kinase ATP:CMP(UMP) phosphotransferase
2.7.4.2 phosphomevalonate kinase ATP:(R)-5-phosphomevalonate phosphotransferase
2.7.4.6 nucleoside-diphosphate kinase ATP:nucleoside-diphosphate phosphotransferase
2.7.7.80 molybdopterin-synthase adenylyltransferase ATP:molybdopterin-synthase adenylyltransferase
2.7.9.3 selenide, water dikinase ATP:selenide, water phosphotransferase
2.8.1.11 molybdopterin synthase sulfurtransferase [cysteine desulfurase]-S-sulfanyl-L-cysteine:[molybdopterin-synthase sulfur-carrier protein]-Gly-Gly sulfurtransferase
2.8.3.5 3-oxoacid CoA-transferase succinyl-CoA:3-oxo-acid CoA-transferase
3.1.2.12 S-formylglutathione hydrolase S-formylglutathione hydrolase
3.1.3.106 2-lysophosphatidate phosphatase 1-acyl-sn-glycerol 3-phosphate phosphohydrolase
3.1.3.11 fructose-bisphosphatase D-fructose-1,6-bisphosphate 1-phosphohydrolase
3.1.3.4 phosphatidate phosphatase diacylglycerol-3-phosphate phosphohydrolase
3.1.3.7 3'(2'),5'-bisphosphate nucleotidase adenosine-3'(2'),5'-bisphosphate 3'(2')-phosphohydrolase
3.1.3.76 lipid-phosphate phosphatase (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate phosphohydrolase
3.1.4.11 phosphoinositide phospholipase C 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase
3.2.1.31 beta-glucuronidase beta-D-glucuronoside glucuronosohydrolase
3.3.2.10 soluble epoxide hydrolase epoxide hydrolase
3.3.2.2 lysoplasmalogenase lysoplasmalogen aldehydohydrolase
3.5.3.1 arginase L-arginine amidinohydrolase
3.6.1.75 diacylglycerol diphosphate phosphatase 1,2-diacyl-sn-glycerol 3-phosphate phosphohydrolase
4.2.1.17 enoyl-CoA hydratase (3S)-3-hydroxyacyl-CoA hydro-lyase
5.1.3.3 Aldose 1-epimerase Aldose 1-epimerase
5.3.1.9 glucose-6-phosphate isomerase alpha-D-glucose-6-phosphate aldose-ketose-isomerase (configuration-inverting)
5.3.3.1 steroid DELTA-isomerase 3-oxosteroid DELTA5-DELTA4-isomerase
5.3.3.12 L-dopachrome isomerase L-dopachrome keto-enol isomerase
6.2.1.4 succinate-CoA ligase (GDP-forming) succinate:CoA ligase (GDP-forming)
6.2.1.5 succinate-CoA ligase (ADP-forming) succinate:CoA ligase (ADP-forming)
6.2.1.9 malate-CoA ligase malate:CoA ligase (ADP-forming)
7.1.1.2 NADH:ubiquinone reductase (H+-translocating) NADH:ubiquinone oxidoreductase
7.1.1.9 cytochrome-c oxidase ferrocytochrome-c:oxygen oxidoreductase


Proteins

Protein ID name full name