| Entry |
|
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| Name |
Delta4-Dafachronic acid;
(25S),26-3-Keto-4-cholestenoic acid;
(25S)-Delta4-Dafachronic acid;
(25S)-3-Oxocholest-4-en-26-oate
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| Formula |
C27H42O3
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| Exact mass |
414.3134
|
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| Mol weight |
414.6206
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| Structure |
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| Reaction |
|
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map04212 | Longevity regulating pathway - worm |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C21076 Delta4-Dafachronic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C1x C 12.0959 -18.2101
2 C5x C 12.0959 -19.5828
3 C2x C 13.2846 -20.2692
4 C2y C 14.4735 -19.5828
5 C1z C 14.4735 -18.2101
6 C1x C 13.2846 -17.5238
7 C1x C 15.6623 -20.2692
8 C1x C 16.8510 -19.5828
9 C1y C 16.8510 -18.2101
10 C1y C 15.6623 -17.5238
11 C1y C 18.0399 -17.5238
12 C1z C 18.0399 -16.1510
13 C1x C 16.8510 -15.4647
14 C1x C 15.6623 -16.1510
15 O5x O 10.9071 -20.2692
16 C1x C 20.4175 -17.5238
17 C1x C 20.4175 -16.1510
18 C1y C 19.2287 -15.4647
19 C1c C 19.2287 -14.0920
20 C1b C 20.4215 -13.4034
21 C1b C 21.5956 -14.0814
22 C1b C 22.7588 -13.4098
23 C1c C 23.9274 -14.0847
24 C6a C 25.0934 -13.4116
25 C1a C 23.9274 -15.4644
26 C1a C 18.0438 -13.4079
27 C1a C 14.4735 -16.8374
28 C1a C 18.0399 -14.7783
29 O6a O 26.3391 -14.1306
30 O6a O 25.0939 -12.0374
BOND 33
1 1 2 1
2 2 3 1
3 3 4 2
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 2 15 2
18 11 16 1
19 16 17 1
20 18 17 1
21 12 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 23 25 1 #Up
29 19 26 1 #Down
30 5 27 1 #Up
31 12 28 1 #Up
32 24 29 1
33 24 30 2
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