| Entry |
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| Name |
3beta-Hydroxyergosta-7,24(24(1))-dien-4alpha-carboxylate
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| Formula |
C29H46O3
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| Exact mass |
442.3447
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| Mol weight |
442.67
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00917 | Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C22119 3beta-Hydroxyergosta-7,24(24(1))-dien-4alpha-carboxylate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C1x C 12.6618 -17.1389
2 C1y C 12.6618 -18.5381
3 C1y C 13.8510 -19.2376
4 C1x C 13.8510 -16.4394
5 C1z C 15.0403 -17.1389
6 C1y C 15.0403 -18.5381
7 C1x C 16.1596 -19.2376
8 C2x C 17.4187 -18.5381
9 C1y C 16.2295 -16.5093
10 C2y C 17.4187 -17.1389
11 C1x C 17.4187 -14.4107
12 C1x C 16.2295 -15.1103
13 C1z C 18.5381 -15.1103
14 C1y C 18.5381 -16.5093
15 C1x C 20.9165 -16.5093
16 C1x C 20.9165 -15.1802
17 C1y C 19.7972 -14.4807
18 C1c C 19.7972 -13.0815
19 C1b C 20.9864 -12.3820
20 C1b C 22.1756 -13.0815
21 C2c C 23.4349 -12.3820
22 C1c C 24.5541 -13.0815
23 C1a C 25.7433 -12.3820
24 C1a C 24.5541 -14.4807
25 C2a C 23.4349 -11.0529
26 O1a O 11.4726 -19.2376
27 C1a C 15.0403 -15.8098
28 C1a C 18.4681 -13.7811
29 C1a C 18.6080 -12.3820
30 C6a C 13.8510 -20.5667
31 O6a O 15.1103 -21.2662
32 O6a O 12.6454 -21.2761
BOND 35
1 5 6 1
2 6 7 1
3 7 8 1
4 13 14 1
5 15 16 1
6 16 17 1
7 17 13 1
8 14 15 1
9 8 10 2
10 17 18 1
11 9 5 1
12 18 19 1
13 5 4 1
14 19 20 1
15 4 1 1
16 20 21 1
17 21 22 1
18 1 2 1
19 22 23 1
20 9 10 1
21 22 24 1
22 10 14 1
23 21 25 2
24 13 11 1
25 2 26 1 #Up
26 11 12 1
27 5 27 1 #Up
28 12 9 1
29 13 28 1 #Up
30 2 3 1
31 18 29 1 #Down
32 3 6 1
33 3 30 1 #Down
34 30 31 2
35 30 32 1
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