| Entry |
|
|---|
| Name |
3-Dehydroecdysone;
(2beta,5beta,22R)-2,14,22,25-Tetrahydroxycholest-7-ene-3,6-dione
|
|---|
| Formula |
C27H42O6
|
|---|
| Exact mass |
462.2981
|
|---|
| Mol weight |
462.6188
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C02513 3-Dehydroecdysone
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 C2y C 17.2675 -16.2102
2 C1z C 18.4719 -15.5113
3 C1y C 15.9993 -15.5238
4 C2x C 17.3187 -17.5207
5 C1z C 18.4781 -14.1196
6 C1x C 20.8870 -15.5563
7 O1a O 18.5419 -16.8592
8 C1z C 14.8774 -16.2164
9 C1x C 16.0568 -14.1321
10 C5x C 16.1454 -18.2820
11 C1y C 19.6826 -13.4207
12 C1x C 17.2612 -13.4270
13 C1a C 18.5044 -12.7967
14 C1x C 20.8807 -14.1259
15 C1y C 14.8774 -17.5894
16 C1x C 13.6855 -15.5424
17 C1a C 14.8800 -14.8623
18 O5x O 16.1968 -19.5552
19 C1c C 19.6888 -12.0665
20 C1x C 13.6855 -18.2820
21 C1y C 12.5122 -16.2164
22 C1c C 20.8620 -11.3925
23 C1a C 18.3755 -11.3100
24 C5x C 12.5122 -17.5894
25 O1a O 11.3390 -15.5424
26 C1b C 22.0353 -12.0728
27 O1a O 20.8682 -10.1721
28 O5x O 11.3328 -18.2634
29 C1b C 23.2147 -11.3988
30 C1d C 24.3880 -12.0789
31 C1a C 25.5674 -11.4050
32 C1a C 24.3816 -13.5093
33 O1a O 25.5486 -12.7592
BOND 36
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1 #Up
13 6 14 1
14 8 15 1
15 8 16 1
16 8 17 1 #Up
17 10 18 2
18 11 19 1 #Up
19 15 20 1
20 16 21 1
21 19 22 1
22 19 23 1 #Down
23 20 24 1
24 21 25 1 #Up
25 22 26 1
26 22 27 1 #Down
27 24 28 2
28 26 29 1
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 1
33 9 12 1
34 10 15 1
35 11 14 1
36 21 24 1
|
|---|
