Entry |
|
Name |
5alpha-Pregnan-17alpha-ol-3,20-dione
|
Formula |
C21H32O3
|
Exact mass |
332.2351
|
Mol weight |
332.48
|
Structure |
|
Reaction |
|
Pathway |
|
Module |
M00977 | C19-Steroid hormone biosynthesis (androgen backdoor pathway), pregnenolone => androsterone => dihydrotestosterone |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C1x C 15.1168 -17.4272
2 C5x C 15.1168 -18.7570
3 C1x C 16.3066 -19.3870
4 C1y C 17.4265 -18.7570
5 C1z C 17.4265 -17.4272
6 C1x C 16.3066 -16.7273
7 C1x C 18.6163 -19.3870
8 C1x C 19.8761 -18.7570
9 C1y C 19.8761 -17.4272
10 C1y C 18.6163 -16.7273
11 C1y C 20.9960 -16.7273
12 C1z C 20.9960 -15.3275
13 C1x C 19.8761 -14.6976
14 C1x C 18.6163 -15.3275
15 O5x O 13.9270 -19.3870
16 C1a C 17.4265 -16.0274
17 C1a C 20.9960 -13.9977
18 C1x C 23.3757 -16.7273
19 C1x C 23.3757 -15.3275
20 C1z C 22.1858 -14.6976
21 C5a C 22.1858 -13.2978
22 O5a O 20.9960 -12.5979
23 C1a C 23.3757 -12.5979
24 O1a O 23.3757 -13.9977
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 12 17 1 #Up
20 11 18 1
21 18 19 1
22 19 20 1
23 12 20 1
24 20 21 1 #Up
25 21 22 2
26 21 23 1
27 20 24 1 #Down
|