Ibuprofen Metabolism Pathway

Metabolites

H+

Formula: H (1.0078246)

CAS ID: 12408-02-5

H2O

Formula: H2O (18.0105642)

CAS ID: 7732-18-5

Hydrogen peroxide

Formula: H2O2 (34.0054792)

CAS ID: 7722-84-1

Ibuprofen

Formula: C13H18O2 (206.1306728)

CAS ID: 15687-27-1

NADP+

Formula: C21H29N7O17P3 (744.0832754)

CAS ID: 53-59-8

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

UDP

Formula: C9H14N2O12P2 (404.0021984)

CAS ID: 58-98-0

UDP-glucuronate

Formula: C15H22N2O18P2 (580.0342852)

CAS ID: 2616-64-0

Carboxy-ibuprofen

Formula: C13H16O4 (236.10485359999998)

CAS ID: 15935-54-3

1-Hydroxyibuprofen

Formula: C13H18O3 (222.1255878)

CAS ID: 53949-53-4

2-Hydroxyibuprofen

Formula: C13H18O3 (222.1255878)

CAS ID: 51146-55-5

3-Hydroxyibuprofen

Formula: C13H18O3 (222.1255878)

CAS ID: 53949-54-5



Enzyme

EC Number name full name note
1.14.14.1 unspecific monooxygenase substrate,NADPH-hemoprotein reductase:oxygen oxidoreductase (RH-hydroxylating or -epoxidizing)
1.14.14.51 (S)-limonene 6-monooxygenase (S)-limonene,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (6-hydroxylating)
1.14.14.52 (S)-limonene 7-monooxygenase (S)-limonene,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (7-hydroxylating)
1.14.14.53 (R)-limonene 6-monooxygenase (R)-limonene,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (6-hydroxylating)
1.14.14.55 quinine 3-monooxygenase quinine,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase
1.14.14.56 1,8-cineole 2-exo-monooxygenase 1,8-cineole,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (2-exo-hydroxylating)
1.14.14.73 albendazole monooxygenase (sulfoxide-forming) albendazole,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (sulfoxide-forming)
1.14.14.75 fenbendazole monooxygenase (4'-hydroxylating) fenbendazole,[reduced NADPH-hemoprotein reductase]:oxygen oxidoreductase (4'-hydroxylating)
1.14.99.1 prostaglandin-endoperoxide synthase (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase
2.4.1.17 glucuronosyltransferase UDP-glucuronate beta-D-glucuronosyltransferase (acceptor-unspecific)
3.6.4.10 non-chaperonin molecular chaperone ATPase ATP phosphohydrolase (polypeptide-polymerizing)
5.2.1.8 peptidylprolyl isomerase Peptidylproline cis-trans-isomerase
5.3.4.1 protein disulfide-isomerase Protein disulfide-isomerase


Proteins

Protein ID name full name