| Entry |
|
|---|
| Name |
Brassicasterol;
(3beta,22E)-Ergosta-5,22-dien-3-ol
|
|---|
| Formula |
C28H46O
|
|---|
| Exact mass |
398.3549
|
|---|
| Mol weight |
398.6642
|
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| Structure |
|
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| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C08813 Brassicasterol
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Ergostane
C08813 Brassicasterol
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 29
1 C1y C 22.7506 -20.0517
2 C1y C 21.5696 -20.7300
3 C1z C 22.7683 -18.6892
4 C1x C 25.1189 -20.0108
5 C1y C 20.3883 -20.0400
6 C1x C 21.5696 -22.1040
7 C1y C 23.9610 -18.0226
8 C1x C 21.5930 -17.9992
9 C1a C 22.7566 -17.3209
10 C1x C 25.1306 -18.7183
11 C1z C 19.2013 -20.7183
12 C1x C 20.4000 -18.6717
13 C2x C 20.3766 -22.7881
14 C1c C 23.9493 -16.6543
15 C2y C 19.1956 -22.0923
16 C1x C 18.0143 -20.0340
17 C1a C 19.1896 -19.3440
18 C2b C 25.1306 -15.9702
19 C1a C 22.7566 -15.9702
20 C1x C 18.0143 -22.7823
21 C1x C 16.8216 -20.7183
22 C2b C 26.3117 -16.6485
23 C1y C 16.8216 -22.0923
24 C1c C 27.4987 -15.9643
25 O1a O 15.6346 -22.7706
26 C1c C 28.6799 -16.6426
27 C1a C 27.4929 -14.5903
28 C1a C 28.6799 -18.0051
29 C1a C 29.8669 -15.9526
BOND 32
1 1 2 1
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 2
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 24 27 1 #Down
27 26 28 1
28 26 29 1
29 7 10 1
30 8 12 1
31 13 15 2
32 21 23 1
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