| Entry |
|
|---|
| Name |
Teasterone;
(3beta,5alpha,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one
|
|---|
| Formula |
C28H48O4
|
|---|
| Exact mass |
448.3553
|
|---|
| Mol weight |
448.68
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C15791 Teasterone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1x C 25.9362 -22.9162
2 C1y C 25.9362 -24.2876
3 C1x C 27.1240 -24.9731
4 C1y C 28.3117 -24.2876
5 C1z C 28.3117 -22.9162
6 C1x C 27.1240 -22.2305
7 C5x C 29.4992 -24.9731
8 C1x C 30.6867 -24.2876
9 C1y C 30.6867 -22.9162
10 C1y C 29.4992 -22.2305
11 C1y C 31.8745 -22.2305
12 C1z C 31.8745 -20.8592
13 C1x C 30.6867 -20.1733
14 C1x C 29.4992 -20.8592
15 C1x C 34.2499 -22.2305
16 C1x C 34.2499 -20.8592
17 C1y C 33.0621 -20.1733
18 C1c C 33.0621 -18.8022
19 C1c C 34.2538 -18.1144
20 C1c C 35.4266 -18.7917
21 C1c C 36.5886 -18.1208
22 C1c C 37.7560 -18.7951
23 C1a C 37.7560 -20.1730
24 C1a C 28.3117 -21.5447
25 C1a C 31.8745 -19.4882
26 C1a C 31.8745 -18.1166
27 C1a C 38.9435 -18.1093
28 O1a O 24.7429 -24.9764
29 O5x O 29.4996 -26.3934
30 O1a O 34.2540 -16.7049
31 O1a O 35.4270 -20.2178
32 C1a C 36.5886 -16.7208
BOND 35
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 15 16 1
18 16 17 1
19 12 17 1
20 11 15 1
21 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 5 24 1 #Up
28 12 25 1 #Up
29 18 26 1 #Down
30 22 27 1
31 2 28 1 #Up
32 7 29 2
33 19 30 1 #Up
34 20 31 1 #Up
35 21 32 1 #Up
|
|---|
