| Entry |
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|---|
| Name |
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol
|
|---|
| Formula |
C30H48O3
|
|---|
| Exact mass |
456.3603
|
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| Mol weight |
456.7003
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| Structure |
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| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00917 | Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol |
|
|---|
| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 33
1 C1x C 12.7144 -17.5332
2 C1y C 12.7144 -18.8605
3 C1y C 13.9021 -19.5591
4 C1x C 13.9021 -16.8345
5 C1z C 15.0896 -17.5332
6 C1y C 15.0896 -18.8605
7 C1x C 16.2772 -19.5591
8 C2x C 17.4649 -18.9303
9 C1y C 16.2772 -16.8345
10 C2y C 17.4649 -17.5332
11 C1x C 17.4649 -14.8087
12 C1x C 16.2772 -15.4374
13 C1z C 18.6524 -15.5072
14 C1y C 18.6523 -16.9045
15 C1x C 21.0277 -16.9045
16 C1x C 21.0277 -15.5072
17 C1y C 19.8400 -14.8087
18 C1c C 19.8400 -13.4814
19 C1b C 21.0277 -12.7828
20 C1b C 22.2152 -13.4814
21 C2c C 23.4028 -12.7828
22 C1c C 24.5905 -13.4114
23 C1a C 25.7780 -12.7828
24 C1a C 24.5905 -14.8087
25 C2b C 23.4028 -11.3857
26 C1a C 24.5905 -10.6870
27 O1a O 11.5268 -19.5591
28 C1a C 15.0896 -16.1360
29 C1a C 18.6524 -14.1101
30 C1a C 18.6524 -12.7828
31 C6a C 13.9021 -20.9579
32 O6a O 15.1134 -21.6573
33 O6a O 12.6906 -21.6573
BOND 36
1 6 7 1
2 7 8 1
3 15 16 1
4 16 17 1
5 17 13 1
6 14 15 1
7 8 10 2
8 17 18 1
9 9 5 1
10 18 19 1
11 5 4 1
12 19 20 1
13 4 1 1
14 20 21 1
15 21 22 1
16 1 2 1
17 22 23 1
18 9 10 1
19 22 24 1
20 10 14 1
21 21 25 2
22 13 11 1
23 25 26 1
24 11 12 1
25 12 9 1
26 2 27 1 #Up
27 2 3 1
28 5 28 1 #Up
29 3 6 1
30 13 29 1 #Up
31 5 6 1
32 18 30 1 #Down
33 3 31 1 #Down
34 31 32 2
35 31 33 1
36 14 13 1
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