Entry |
|
Name |
Ecdysone;
(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
|
Formula |
C27H44O6
|
Exact mass |
464.3138
|
Mol weight |
464.6347
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Structure |

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Reaction |
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Pathway |
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Enzyme |
|
Brite |
Compounds with biological roles [BR:br08001]
Steroids
27-Carbon atoms
Cholestane derivatives
C00477 Ecdysone
Hormones and transmitters
Steroid hormones
Others
C00477 Ecdysone
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C00477 Ecdysone
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cholestane
C00477 Ecdysone
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C00477
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Other DBs |
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KCF data |
ATOM 33
1 C2y C 17.4700 -17.4262
2 C1z C 18.6635 -16.8103
3 C1y C 16.2823 -16.7517
4 C2x C 17.4700 -18.8611
5 C1z C 18.6635 -15.3620
6 C1x C 20.9807 -16.8103
7 O1a O 18.6635 -18.1124
8 C1z C 15.1060 -17.4378
9 C1x C 16.2823 -15.3736
10 C5x C 16.3639 -19.4729
11 C1y C 19.8570 -14.6703
12 C1x C 17.4643 -14.6817
13 C1a C 18.6635 -13.9841
14 C1x C 20.9807 -15.3736
15 C1y C 15.1060 -18.7984
16 C1x C 13.9299 -16.7689
17 C1a C 15.1060 -16.0598
18 O5x O 16.3639 -20.7357
19 C1c C 19.8570 -13.3325
20 C1x C 13.9299 -19.4788
21 C1y C 12.7710 -17.4378
22 C1c C 21.0274 -12.6637
23 C1a C 18.6635 -12.3688
24 C1y C 12.7710 -18.7984
25 O1a O 11.5776 -16.7459
26 C1b C 22.1922 -13.3441
27 O1a O 21.0274 -11.2800
28 O1a O 11.5717 -19.4788
29 C1b C 23.3452 -12.6695
30 C1d C 24.5098 -13.3499
31 C1a C 25.6745 -12.6753
32 C1a C 24.5098 -15.0350
33 O1a O 25.6573 -14.0188
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 1 #Up
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
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