| Entry |
|
|---|
| Name |
Lithocholic acid;
Lithocholate;
3alpha-Hydroxy-5beta-cholanate;
3alpha-Hydroxy-5beta-cholanic acid
|
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| Formula |
C24H40O3
|
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| Exact mass |
376.2977
|
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| Mol weight |
376.5726
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
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| Enzyme |
|
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane derivatives
C03990 Lithocholic acid
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C03990 3alpha-Hydroxy-5beta-cholanic acid
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| Other DBs |
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| KCF data |
ATOM 27
1 C1y C 22.1606 -21.1396
2 C1y C 20.9478 -21.8276
3 C1z C 22.1837 -19.7404
4 C1y C 19.7468 -21.1222
5 C1x C 20.9478 -23.2385
6 C1x C 20.9711 -19.0059
7 C1z C 18.5224 -21.8276
8 C1x C 19.7585 -19.7172
9 C1x C 19.7468 -23.9382
10 C1y C 18.5224 -23.2385
11 C1x C 17.3039 -21.1222
12 C1a C 18.5224 -20.4343
13 C1x C 17.3039 -23.9382
14 C1x C 16.1087 -21.8276
15 C1y C 16.1087 -23.2385
16 O1a O 14.8844 -23.9615
17 C1x C 24.6551 -21.1096
18 C1x C 24.6082 -19.7804
19 C1y C 23.4075 -19.0605
20 C1a C 22.1837 -18.3404
21 C1c C 23.4075 -17.6605
22 C1b C 24.6077 -16.9672
23 C1a C 22.1654 -16.9437
24 C1b C 25.8321 -17.6742
25 C6a C 27.0576 -16.9670
26 O6a O 28.2817 -17.6747
27 O6a O 27.0576 -15.5404
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 1 #Down
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
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