| Entry |
|
|---|
| Name |
Hyocholate;
Hyocholic acid;
Iocholic acid;
gamma-Muricholate;
alpha-Hyocholic acid;
3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid;
6alpha-Hydroxychenodeoxycholic acid
|
|---|
| Formula |
C24H40O5
|
|---|
| Exact mass |
408.2876
|
|---|
| Mol weight |
408.5714
|
|---|
| Structure |
|
|---|
| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C17649 Hyocholate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C1x C 23.9716 -24.1812
2 C1y C 23.9716 -25.5790
3 C1x C 25.1597 -26.2778
4 C1y C 26.3478 -25.5790
5 C1z C 26.3478 -24.1812
6 C1x C 25.1597 -23.5522
7 C1y C 27.5359 -26.2778
8 C1y C 28.7240 -25.5790
9 C1y C 28.7240 -24.1812
10 C1y C 27.5359 -23.5522
11 C1y C 29.9121 -23.5522
12 C1z C 29.9121 -22.1545
13 C1x C 28.7240 -21.4556
14 C1x C 27.5359 -22.1545
15 C1x C 32.2184 -23.5522
16 C1x C 32.2184 -22.1545
17 C1y C 31.1002 -21.4556
18 C1c C 31.1002 -20.1277
19 C1a C 30.2615 -18.7300
20 C1b C 32.2184 -19.4288
21 C1b C 33.4065 -20.1277
22 C6a C 34.5946 -19.4288
23 O6a O 35.7827 -20.1277
24 C1a C 26.3478 -22.8533
25 C1a C 29.9121 -20.8266
26 O1a O 22.8534 -26.2778
27 O6a O 34.5946 -18.1009
28 O1a O 27.5359 -27.6756
29 O1a O 29.9121 -26.2778
BOND 32
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 18 19 1 #Down
23 18 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 5 24 1 #Up
28 12 25 1 #Up
29 2 26 1 #Down
30 22 27 2
31 7 28 1 #Down
32 8 29 1 #Down
|
|---|
