| Entry |
|
|---|
| Name |
Hyodeoxycholate;
Hyodesoxycholic acid;
6alpha-Hydroxylithocholate;
Iodeoxycholic acid;
3alpha,6alpha-Dihydroxy-5beta-cholanic acid
|
|---|
| Formula |
C24H40O4
|
|---|
| Exact mass |
392.2927
|
|---|
| Mol weight |
392.572
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane derivatives
C15517 Hyodeoxycholate
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C15517 Hyodeoxycholate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C1y C 28.5967 -20.2174
2 C1y C 27.4094 -20.8910
3 C1z C 28.6193 -18.8475
4 C1y C 26.2336 -20.2004
5 C1x C 27.4094 -22.2722
6 C1x C 27.4322 -18.1285
7 C1z C 25.0349 -20.8910
8 C1x C 26.2466 -18.8248
9 C1y C 26.2336 -22.9572
10 C1y C 25.0349 -22.2722
11 C1x C 23.8420 -20.2004
12 C1a C 25.0349 -19.5269
13 C1x C 23.8420 -22.9572
14 C1x C 22.6719 -20.8910
15 C1y C 22.6719 -22.2722
16 O1a O 21.4733 -22.9800
17 O1a O 26.2394 -24.3294
18 C1x C 31.0371 -20.2580
19 C1x C 30.9912 -18.8867
20 C1y C 29.8166 -18.1824
21 C1a C 28.6193 -17.4779
22 C1c C 29.8166 -16.8127
23 C1b C 31.0337 -16.1106
24 C1a C 28.6335 -16.1293
25 C1b C 32.1899 -16.7787
26 C6a C 33.3586 -16.1043
27 O6a O 34.5202 -16.7754
28 O6a O 33.3592 -14.7257
BOND 31
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 1 #Down
16 6 8 1
17 9 10 1
18 14 15 1
19 9 17 1 #Down
20 1 18 1
21 18 19 1
22 19 20 1
23 3 20 1
24 3 21 1 #Up
25 20 22 1
26 22 23 1
27 22 24 1 #Down
28 23 25 1
29 25 26 1
30 26 27 1
31 26 28 2
|
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