Entry
Name
7alpha-Hydroxy-5beta-cholestan-3-one;
5beta-Cholestan-7alpha-ol-3-one
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.65
Structure
Mol file KCF file DB search
Reaction
Pathway
Module
M00104 Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C05451 7alpha-Hydroxy-5beta-cholestan-3-one
BRITE hierarchy
Other DBs
KCF data
Show ATOM 29
1 C1y C 26.1360 -22.2142
2 C1y C 24.9240 -22.8934
3 C1z C 26.0835 -20.8090
4 C1y C 23.7238 -22.1850
5 C1y C 24.9240 -24.2927
6 C1x C 24.9475 -20.1007
7 C1z C 22.4359 -22.8817
8 C1x C 23.7356 -20.7915
9 C1x C 23.7121 -24.9894
10 O1a O 25.6150 -25.4988
11 C1y C 22.5001 -24.2810
12 C1x C 21.2942 -22.1850
13 C1a C 22.4942 -21.4824
14 C1x C 21.2942 -24.9836
15 C1x C 20.0822 -22.8817
16 C5x C 20.0822 -24.2810
17 C1a C 26.0835 -19.4087
18 O5x O 18.8712 -24.9788
19 C1x C 28.4892 -22.1937
20 C1x C 28.5067 -20.7185
21 C1y C 27.2689 -20.0643
22 C1c C 27.2689 -18.6643
23 C1b C 28.5124 -17.9900
24 C1b C 29.7249 -18.6900
25 C1b C 30.9373 -17.9900
26 C1c C 32.1497 -18.6900
27 C1a C 33.3473 -17.9985
28 C1a C 32.1498 -20.0899
29 C1a C 26.1001 -17.9686
BOND 32
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Down
10 7 11 1
11 7 12 1
12 7 13 1 #Up
13 11 14 1
14 12 15 1
15 14 16 1
16 6 8 1
17 9 11 1
18 15 16 1
19 3 17 1 #Up
20 16 18 2
21 1 19 1
22 19 20 1
23 20 21 1
24 3 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 26 28 1
32 22 29 1 #Down