| Entry |
|
|---|
| Name |
22(R)-Hydroxycholesterol;
(22R)-22-Hydroxycholesterol;
22beta-Hydroxycholesterol
|
|---|
| Formula |
C27H46O2
|
|---|
| Exact mass |
402.3498
|
|---|
| Mol weight |
402.6529
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00107 | Steroid hormone biosynthesis, cholesterol => pregnenolone => progesterone |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C05502 22beta-Hydroxycholesterol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1y C 27.6104 -24.8784
2 C1y C 26.4397 -25.5539
3 C1z C 27.6104 -23.5271
4 C1x C 29.9516 -24.8784
5 C1y C 25.2748 -24.8784
6 C1x C 26.4338 -26.9052
7 C1y C 28.7927 -22.8516
8 C1x C 26.4397 -22.8516
9 C1a C 27.6045 -22.1759
10 C1x C 29.9516 -23.5271
11 C1z C 24.0925 -25.5539
12 C1x C 25.2748 -23.5271
13 C2x C 25.2748 -27.5808
14 C1c C 28.7927 -21.5003
15 C2y C 24.0925 -26.9052
16 C1x C 22.9278 -24.8784
17 C1a C 24.0808 -24.2028
18 C1c C 29.9866 -20.8130
19 C1a C 27.5928 -20.8073
20 C1x C 22.9278 -27.5808
21 C1x C 21.7571 -25.5539
22 C1b C 31.1806 -21.5060
23 C1y C 21.7571 -26.9052
24 C1b C 32.3745 -20.8130
25 O1a O 20.5748 -27.5808
26 C1c C 33.5743 -21.5060
27 C1a C 34.7683 -20.8188
28 C1a C 33.5685 -23.0959
29 O1a O 29.9896 -19.3903
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 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 26 27 1
27 26 28 1
28 7 10 1
29 8 12 1
30 13 15 2
31 21 23 1
32 18 29 1 #Down
|
|---|
