COMPOUND: C02633
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Entry
C02633 Compound
Name
20-Hydroxyecdysone;
Crustecdysone;
Ecdysterone;
(2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
Formula
C27H44O7
Exact mass
480.3087
Mol weight
480.6341
Structure
Mol file
KCF file
DB search
Reaction
R02374
R08143
Pathway
map00981
Insect hormone biosynthesis
Enzyme
1.14.99.22
1.14.-.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C02633 20-Hydroxyecdysone
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Cholestane
C02633 20-Hydroxyecdysone
BRITE hierarchy
Other DBs
CAS:
5289-74-7
PubChem:
5613
ChEBI:
16587
LIPIDMAPS:
LMST01010209
KNApSAcK:
C00003654
PDB-CCD:
20E
[
PDBj
]
3DMET:
B04858
NIKKAJI:
J13.425B
LinkDB
All DBs
KCF data
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ATOM 34
1 C1z C 18.4221 -15.4840
2 C2y C 17.2171 -16.1896
3 C1z C 18.4283 -14.0918
4 C1x C 20.8385 -15.4653
5 O1a O 18.4221 -16.7689
6 C1y C 16.0183 -15.4965
7 C2x C 17.1983 -17.5007
8 C1y C 19.6335 -13.3986
9 C1x C 17.2108 -13.4050
10 C1a C 18.3847 -12.7743
11 C1x C 20.8385 -14.1043
12 C1z C 14.8319 -16.1958
13 C1x C 16.0058 -14.1104
14 C5x C 16.0308 -18.2563
15 C1d C 19.6396 -12.0437
16 C1y C 14.8319 -17.5695
17 C1x C 13.6394 -15.5153
18 C1a C 14.8284 -14.7710
19 O5x O 16.0058 -19.5362
20 C1c C 20.8196 -11.3633
21 C1a C 18.3958 -11.4969
22 O1a O 19.6396 -10.5426
23 C1x C 13.6394 -18.2624
24 C1y C 12.4594 -16.1958
25 C1b C 21.9935 -12.0501
26 O1a O 20.7560 -10.0784
27 C1y C 12.4594 -17.5695
28 O1a O 11.2856 -15.5153
29 C1b C 23.1735 -11.3758
30 O1a O 11.2856 -18.2438
31 C1d C 24.3412 -12.0562
32 C1a C 25.5212 -11.3819
33 C1a C 24.3412 -13.4875
34 O1a O 25.5787 -12.6668
BOND 37
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1 #Up
15 12 16 1
16 12 17 1
17 12 18 1 #Up
18 14 19 2
19 15 20 1
20 15 21 1
21 15 22 1
22 16 23 1
23 17 24 1
24 20 25 1
25 20 26 1 #Down
26 23 27 1
27 24 28 1 #Up
28 25 29 1
29 27 30 1 #Up
30 29 31 1
31 31 32 1
32 31 33 1
33 31 34 1
34 8 11 1
35 9 13 1
36 14 16 1
37 24 27 1
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