| Entry |
|
|---|
| Name |
22-Hydroxycholesterol;
Cholest-5-ene-3beta,22-diol
|
|---|
| Formula |
C27H46O2
|
|---|
| Exact mass |
402.3498
|
|---|
| Mol weight |
402.65
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00996 | Biosynthesis of various alkaloids |
|
|---|
| Enzyme |
1.14.14.-
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C22446 22-Hydroxycholesterol
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 29
1 C1y C 18.5680 -17.5872
2 C1y C 17.3978 -18.2624
3 C1z C 18.5680 -16.2365
4 C1x C 20.9081 -17.5872
5 C1y C 16.2334 -17.5872
6 C1x C 17.3919 -19.6131
7 C1y C 19.7497 -15.5613
8 C1x C 17.3978 -15.5613
9 C1a C 18.5621 -14.8859
10 C1x C 20.9081 -16.2365
11 C1z C 15.0517 -18.2624
12 C1x C 16.2334 -16.2365
13 C2x C 16.2334 -20.2884
14 C1c C 19.7497 -14.2106
15 C2y C 15.0517 -19.6131
16 C1x C 13.8875 -17.5872
17 C1a C 15.0400 -16.9119
18 C1c C 20.9431 -13.5236
19 C1a C 18.5504 -13.5179
20 C1x C 13.8875 -20.2884
21 C1x C 12.7173 -18.2624
22 C1b C 22.1366 -14.2163
23 C1y C 12.7173 -19.6131
24 C1b C 23.3299 -13.5236
25 O1a O 11.5355 -20.2884
26 C1c C 24.5292 -14.2163
27 C1a C 25.7227 -13.5294
28 C1a C 24.5234 -15.8055
29 O1a O 20.9461 -12.1016
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
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