Bile Acid Biosynthesis

Metabolites

25-Hydroxycholesterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 2140-46-7

3'-AMP

Formula: C10H14N5O7P (347.06308240000004)

CAS ID: 84-21-9

ADP

Formula: C10H15N5O10P2 (427.02941500000003)

CAS ID: 58-64-0

ATP

Formula: C10H16N5O13P3 (506.9957476)

CAS ID: 56-65-5

Cerebrosterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 474-73-7

Chenodeoxycholate

Formula: C24H40O4 (392.29264400000005)

CAS ID: 474-25-9

Cholesterol

Formula: C27H46O (386.3548466)

CAS ID: 57-88-5

Cholic acid

Formula: C24H40O5 (408.28755900000004)

CAS ID: 81-25-4

Choloyl-CoA

Formula: C45H74N7O20P3S (1157.3921994000002)

CAS ID: 6050-48-2

Deoxycholic acid

Formula: C24H40O4 (392.29264400000005)

CAS ID: 83-44-3

Glycodeoxycholate

Formula: C26H43NO5 (449.31410680000005)

CAS ID: 360-65-6

Glycolithocholate

Formula: C26H43NO4 (433.31919180000006)

CAS ID: 474-74-8

H2O

Formula: H2O (18.0105642)

CAS ID: 7732-18-5

Hexadecanoic acid

Formula: C16H32O2 (256.2402172)

CAS ID: 57-10-3

Lithocholic acid

Formula: C24H40O3 (376.297729)

CAS ID: 434-13-9

NAD+

Formula: C21H28N7O14P2 (664.1169428000001)

CAS ID: 53-84-9

NADH

Formula: C21H29N7O14P2 (665.1247674)

CAS ID: 58-68-4

NADP+

Formula: C21H29N7O17P3 (744.0832754)

CAS ID: 53-59-8

Oxygen

Formula: O2 (31.98983)

CAS ID: 7782-44-7

Taurine

Formula: C2H7NO3S (125.0146632)

CAS ID: 107-35-7

Taurocholate

Formula: C26H45NO7S (515.291658)

CAS ID: 81-24-3

Taurodeoxycholate

Formula: C26H45NO6S (499.29674300000005)

CAS ID: 516-50-7

27-Hydroxycholesterol

Formula: C27H46O2 (402.34976159999997)

CAS ID: 20380-11-4

diphosphate

Formula: O7P2 (173.911931)

CAS ID: 14000-31-8



Enzyme

EC Number name full name note
1.1.1.-
1.1.1.181 cholest-5-ene-3beta,7alpha-diol 3beta-dehydrogenase cholest-5-ene-3beta,7alpha-diol:NAD+ 3-oxidoreductase
1.14.14.29 25/26-hydroxycholesterol 7alpha-hydroxylase cholest-5-ene-3beta,25/26-diol,[NADPH-hemoprotein reductase]:oxygen oxidoreductase (7alpha-hydroxylating)
1.14.99.38 cholesterol 25-monooxygenase cholesterol,hydrogen-donor:oxygen oxidoreductase (25-hydroxylating)
1.17.99.3 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA 24-hydroxylase (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA:acceptor 24-oxidoreductase (24R-hydroxylating)
1.3.1.3 DELTA4-3-oxosteroid 5beta-reductase 5beta-cholestan-3-one:NADP+ 4,5-oxidoreductase
3.1.1.13 sterol esterase steryl-ester acylhydrolase
4.2.1.152 hydroperoxy icosatetraenoate dehydratase hydroperoxyicosatetraenoate hydro-lyase (oxoicosatetraenoate-forming)
5.3.99.4 prostaglandin-I synthase (5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate 6-isomerase
6.2.1.3 long-chain-fatty-acid-CoA ligase long-chain fatty acid:CoA ligase (AMP-forming)
6.2.1.7 cholate-CoA ligase cholate:CoA ligase (AMP-forming)


Proteins

Protein ID name full name