Entry
Name
3alpha,7alpha-Dihydroxy-5beta-cholestane;
5beta-Cholestane-3alpha,7alpha-diol
Formula
C27H48O2
Exact mass
404.3654
Mol weight
404.67
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
C05452 3alpha,7alpha-Dihydroxy-5beta-cholestane
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 29
1 C1y C 22.8398 -20.0409
2 C1y C 21.6630 -20.7200
3 C1z C 22.8398 -18.6826
4 C1x C 25.1935 -20.0409
5 C1y C 20.4919 -20.0409
6 C1y C 21.6570 -22.0784
7 C1y C 24.0284 -18.0034
8 C1x C 21.6630 -18.0034
9 C1a C 22.8339 -17.4646
10 C1x C 25.1935 -18.6826
11 C1z C 19.3034 -20.7200
12 C1x C 20.4919 -18.6826
13 C1x C 20.4919 -22.7575
14 C1c C 24.0284 -16.6450
15 C1y C 19.3034 -22.0784
16 C1x C 18.1325 -20.0409
17 C1a C 19.2917 -19.3617
18 C1b C 25.2286 -15.9542
19 C1a C 23.3834 -15.3871
20 C1x C 18.1325 -22.7575
21 C1x C 16.9557 -20.7200
22 C1b C 26.4289 -16.6508
23 C1y C 16.9557 -22.0784
24 C1b C 27.6291 -15.9542
25 O1a O 15.7672 -22.7575
26 C1c C 28.8352 -16.6508
27 C1a C 30.0354 -15.9599
28 C1a C 28.8294 -18.0385
29 O1a O 22.8703 -22.7787
BOND 32
1 1 4 1
2 2 5 1
3 2 6 1
4 3 7 1
5 3 8 1
6 3 9 1 #Up
7 4 10 1
8 5 11 1
9 5 12 1
10 6 13 1
11 7 14 1
12 11 15 1
13 11 16 1
14 11 17 1 #Up
15 14 18 1
16 14 19 1 #Down
17 15 20 1
18 16 21 1
19 18 22 1
20 20 23 1
21 22 24 1
22 23 25 1 #Down
23 24 26 1
24 26 27 1
25 26 28 1
26 7 10 1
27 8 12 1
28 13 15 1
29 21 23 1
30 1 2 1
31 6 29 1 #Down
32 1 3 1