| Entry |
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| Name |
Avicholate;
Avicholic acid
|
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| Formula |
C24H40O5
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| Exact mass |
408.2876
|
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| Mol weight |
408.57
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| Structure |
|
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| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C17667 Avicholate
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 29
1 C1x C 21.6719 -20.3413
2 C1y C 21.6719 -21.7396
3 C1x C 22.8605 -22.4388
4 C1y C 24.0491 -21.7396
5 C1z C 24.0491 -20.3413
6 C1x C 22.8605 -19.7120
7 C1x C 25.1678 -22.4388
8 C1y C 26.2865 -21.7396
9 C1y C 26.2865 -20.3413
10 C1y C 25.1678 -19.7120
11 C1y C 27.4751 -19.7120
12 C1z C 27.4751 -18.3136
13 C1x C 26.2865 -17.6145
14 C1x C 25.1678 -18.3136
15 C1x C 29.8524 -19.7120
16 C1y C 29.8524 -18.3136
17 C1y C 28.7336 -17.6145
18 C1c C 28.7336 -16.3559
19 C1b C 29.8524 -15.6567
20 C1b C 31.0409 -16.3559
21 C6a C 32.2295 -15.6567
22 O6a O 33.3482 -16.3559
23 C1a C 24.0491 -19.0128
24 C1a C 27.4751 -16.9851
25 O6a O 32.2295 -14.3283
26 O1a O 27.4751 -22.4388
27 O1a O 20.4832 -22.4388
28 O1a O 31.0754 -17.6357
29 C1a C 27.4943 -15.6685
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
23 19 20 1
24 20 21 1
25 21 22 1
26 5 23 1 #Up
27 12 24 1 #Up
28 21 25 2
29 8 26 1 #Down
30 2 27 1 #Down
31 16 28 1 #Down
32 18 29 1 #Down
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