| Entry |
|
|---|
| Name |
Glycochenodeoxycholate;
Glycochenodeoxycholic acid;
Chenodeoxyglycocholate
|
|---|
| Formula |
C26H43NO5
|
|---|
| Exact mass |
449.3141
|
|---|
| Mol weight |
449.62
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C05466 Glycochenodeoxycholic acid
ST05 Steroid conjugates
ST0503 Glycine conjugates
C05466 Glycochenodeoxycholate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C1y C 24.7449 -21.0875
2 C1y C 23.4790 -21.7702
3 C1z C 24.6925 -19.7224
4 C1x C 27.0435 -21.0468
5 C1y C 22.3006 -21.0701
6 C1y C 23.4790 -23.1411
7 C1y C 25.8826 -19.0457
8 C1x C 23.5023 -19.0223
9 C1a C 24.6809 -18.3456
10 C1x C 27.0494 -19.7517
11 C1z C 21.1047 -21.7585
12 C1x C 22.3123 -19.6991
13 C1x C 22.2890 -23.8178
14 O1a O 24.6749 -23.8295
15 C1c C 25.8942 -17.6748
16 C1y C 21.0988 -23.1294
17 C1x C 19.9204 -21.0642
18 C1a C 21.0930 -20.3817
19 C1b C 27.0902 -17.0038
20 C1a C 24.7159 -16.9747
21 C1x C 19.9204 -23.8178
22 C1x C 18.7245 -21.7585
23 C1b C 28.2861 -17.6805
24 C1y C 18.7245 -23.1294
25 C5a C 29.4704 -16.9981
26 O1a O 17.5402 -23.8178
27 N1b N 30.6605 -17.6805
28 O5a O 29.4704 -15.6213
29 C1b C 31.8447 -16.9981
30 C6a C 33.0349 -17.6805
31 O6a O 34.2192 -16.9921
32 O6a O 33.0349 -19.0574
BOND 35
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 6 14 1 #Down
14 7 15 1
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 17 22 1
22 19 23 1
23 21 24 1
24 23 25 1
25 24 26 1 #Down
26 25 27 1
27 25 28 2
28 27 29 1
29 29 30 1
30 30 31 1
31 30 32 2
32 7 10 1
33 8 12 1
34 13 16 1
35 22 24 1
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