| Entry |
|
|---|
| Name |
3-Oxo-5beta-cholanate;
3-Oxo-5beta-cholan-24-oate
|
|---|
| Formula |
C24H38O3
|
|---|
| Exact mass |
374.2821
|
|---|
| Mol weight |
374.56
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane derivatives
C03070 3-Oxo-5beta-cholanate
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C03070 3-Oxo-5beta-cholanic acid
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1y C 19.2671 -17.2199
2 C1y C 18.0125 -17.8919
3 C1z C 19.2197 -15.8531
4 C1y C 16.8394 -17.2029
5 C1x C 18.0125 -19.2701
6 C1x C 18.0353 -15.1356
7 C1z C 15.6433 -17.8919
8 C1x C 16.8508 -15.8304
9 C1x C 16.8394 -19.9536
10 C1y C 15.6433 -19.2701
11 C1x C 14.4530 -17.2029
12 C1a C 15.6433 -16.5309
13 C1x C 14.4530 -19.9536
14 C1x C 13.2855 -17.8919
15 C5x C 13.2855 -19.2701
16 O5x O 12.0896 -19.9763
17 C1x C 21.6338 -17.1906
18 C1x C 21.5880 -15.8922
19 C1y C 20.4151 -15.1890
20 C1a C 19.2197 -14.4855
21 C1c C 20.4151 -13.8214
22 C1b C 21.5875 -13.1441
23 C1a C 19.2018 -13.1212
24 C1b C 22.7836 -13.8348
25 C6a C 23.9807 -13.1439
26 O6a O 25.1764 -13.8353
27 O6a O 23.9807 -11.7504
BOND 30
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 7 11 1
11 7 12 1 #Up
12 10 13 1
13 11 14 1
14 13 15 1
15 15 16 2
16 6 8 1
17 9 10 1
18 14 15 1
19 1 17 1
20 17 18 1
21 18 19 1
22 3 19 1
23 3 20 1 #Up
24 19 21 1
25 21 22 1
26 21 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 25 27 2
|
|---|
