| Entry |
|
|---|
| Name |
7alpha-Hydroxycholesterol;
Cholest-5-ene-3beta,7alpha-diol
|
|---|
| Formula |
C27H46O2
|
|---|
| Exact mass |
402.3498
|
|---|
| Mol weight |
402.65
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00104 | Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C03594 7alpha-Hydroxycholesterol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1y C 26.4980 -21.3885
2 C1y C 25.3589 -22.0963
3 C1z C 26.5044 -19.9915
4 C1x C 28.9161 -21.4008
5 C1y C 24.0863 -21.4008
6 C1y C 25.3404 -23.4682
7 C1y C 27.7134 -19.2961
8 C1x C 25.2829 -19.3024
9 C1a C 26.5627 -18.6133
10 C1x C 28.9161 -20.0040
11 C1z C 22.8898 -22.1025
12 C1x C 24.0737 -20.0102
13 C2x C 24.1627 -24.1698
14 O1a O 26.5180 -24.1508
15 C1c C 27.7196 -17.9305
16 C2y C 22.8898 -23.4807
17 C1x C 21.6934 -21.4197
18 C1a C 22.8352 -20.8434
19 C1b C 28.8972 -17.2540
20 C1a C 26.4719 -17.1076
21 C1x C 21.6934 -24.1759
22 C1x C 20.5157 -22.1025
23 C1b C 30.0750 -17.9430
24 C1y C 20.5157 -23.4807
25 O1a O 19.3319 -24.1571
26 C1b C 31.2885 -17.2518
27 C1c C 32.4604 -17.9374
28 C1a C 33.6614 -17.2531
29 C1a C 32.4523 -19.3264
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 17 22 1
22 19 23 1
23 21 24 1
24 24 25 1 #Up
25 7 10 1
26 8 12 1
27 13 16 2
28 22 24 1
29 23 26 1
30 26 27 1
31 27 28 1
32 27 29 1
|
|---|
