| Entry |
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| Name |
Apocholic acid;
3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid
|
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| Formula |
C24H38O4
|
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| Exact mass |
390.277
|
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| Mol weight |
390.5561
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| Structure |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C15375 Apocholic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 C2y C 27.0975 -20.3438
2 C2y C 25.9100 -21.0356
3 C1z C 27.1032 -18.9720
4 C1x C 29.4836 -20.3495
5 C1y C 24.7285 -20.3554
6 C1x C 25.8919 -22.4419
7 C1y C 28.2964 -18.2803
8 C1y C 25.9044 -18.2861
9 C1a C 27.0975 -17.6233
10 C1x C 29.4836 -18.9835
11 C1z C 23.5468 -21.0471
12 C1x C 24.7160 -18.9835
13 C1x C 24.7343 -23.0760
14 C1c C 28.2907 -16.9315
15 C1y C 23.5468 -22.4016
16 C1x C 22.3652 -20.3726
17 C1a C 23.5353 -19.6982
18 C1b C 29.4492 -16.2631
19 C1a C 27.3970 -15.5084
20 C1x C 22.3652 -23.0817
21 C1x C 21.2124 -21.0471
22 C1b C 30.6134 -16.9200
23 C1y C 21.2124 -22.4016
24 C6a C 31.7720 -16.2515
25 O6a O 32.9364 -16.9144
26 O1a O 20.0282 -23.0780
27 O1a O 25.8767 -16.8709
28 O6a O 31.7669 -14.8197
BOND 31
1 1 2 2
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 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 24 25 1
25 7 10 1
26 8 12 1
27 13 15 1
28 21 23 1
29 23 26 1 #Down
30 8 27 1 #Down
31 24 28 2
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