| Entry |
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| Name |
Murideoxycholate;
Murideoxycholic acid;
6beta-Hydroxylithocholate;
3alpha,6beta-Dihydroxy-5beta-cholanic acid
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| Formula |
C24H40O4
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| Exact mass |
392.2927
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| Mol weight |
392.57
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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
C15515 Murideoxycholate
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C15515 Murideoxycholate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 C1y C 26.9404 -20.5936
2 C1y C 25.7268 -21.2821
3 C1z C 26.9635 -19.1934
4 C1y C 24.5250 -20.5762
5 C1x C 25.7268 -22.6939
6 C1x C 25.7501 -18.4584
7 C1z C 23.2997 -21.2821
8 C1x C 24.4667 -19.1702
9 C1y C 24.5250 -23.3941
10 C1y C 23.2997 -22.6939
11 C1x C 22.0804 -20.5762
12 C1a C 23.2997 -19.8878
13 C1x C 22.0804 -23.3941
14 C1x C 20.8844 -21.2821
15 C1y C 20.8844 -22.6939
16 O1a O 19.6593 -23.4174
17 O1a O 24.5309 -24.7967
18 C1x C 29.4349 -20.5636
19 C1x C 29.3881 -19.2335
20 C1y C 28.1873 -18.5135
21 C1a C 26.9635 -17.7934
22 C1c C 28.1873 -17.1135
23 C1b C 29.4314 -16.3958
24 C1a C 26.9780 -16.4150
25 C1b C 30.6132 -17.0787
26 C6a C 31.8078 -16.3894
27 O6a O 32.9951 -17.0754
28 O6a O 31.8084 -14.9803
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 #Up
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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