COMPOUND: C16500
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Entry
C16500 Compound
Name
20,26-Dihydroxyecdysone;
(2beta,3beta,5beta,22R)-2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one
Formula
C27H44O8
Exact mass
496.3036
Mol weight
496.6335
Structure
Mol file
KCF file
DB search
Reaction
R08143
Pathway
map00981
Insect hormone biosynthesis
Enzyme
1.14.-.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C16500 20,26-Dihydroxyecdysone
BRITE hierarchy
Other DBs
CAS:
19458-46-9
PubChem:
47205796
ChEBI:
19793
LIPIDMAPS:
LMST01010184
NIKKAJI:
J16.079B
LinkDB
All DBs
KCF data
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ATOM 35
1 C1z C 26.1147 -20.3078
2 C2y C 24.9102 -21.0131
3 C1z C 26.1209 -18.9162
4 C1x C 28.5302 -20.2891
5 O1a O 26.1147 -21.5922
6 C1y C 23.7119 -20.3203
7 C2x C 24.8914 -22.3237
8 C1y C 27.3257 -18.2232
9 C1x C 24.9039 -18.2296
10 C1a C 26.0774 -17.5992
11 C1x C 28.5302 -18.9287
12 C1z C 22.5260 -21.0193
13 C1x C 23.6994 -18.9348
14 C5x C 23.7244 -23.0790
15 C1d C 27.3318 -16.8689
16 C1y C 22.5260 -22.3925
17 C1x C 21.3340 -20.3391
18 C1a C 22.5225 -19.5951
19 O5x O 23.6994 -24.3584
20 C1c C 28.5113 -16.1888
21 C1a C 25.1785 -16.0423
22 O1a O 27.0518 -15.3684
23 C1x C 21.3340 -23.0851
24 C1y C 20.1544 -21.0193
25 C1b C 29.6847 -16.8753
26 O1a O 28.4477 -14.3444
27 C1y C 20.1544 -22.3925
28 O1a O 18.9811 -20.3391
29 C1b C 30.8642 -16.2013
30 O1a O 18.9811 -23.0665
31 C1d C 32.0315 -16.8814
32 C1b C 33.2110 -16.2074
33 C1a C 32.0315 -18.3121
34 O1a O 33.2685 -17.4917
35 O1a O 34.5633 -16.5697
BOND 38
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 #Down
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
38 32 35 1
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