COMPOUND: C16498
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Entry
C16498 Compound
Name
2,22-Dideoxy-3-dehydroecdysone
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Mol file
KCF file
DB search
Reaction
R08136
R08138
Pathway
map00981
Insect hormone biosynthesis
Enzyme
1.14.-.-
Other DBs
PubChem:
47205794
ChEBI:
80533
NIKKAJI:
J2.802.768K
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KCF data
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ATOM 31
1 C1x C 20.1934 -20.2760
2 C5x C 20.1934 -21.6505
3 C1x C 21.3836 -22.3379
4 C1y C 22.5742 -21.6505
5 C1z C 22.5742 -20.2760
6 C1x C 21.3836 -19.5887
7 C5x C 23.7645 -22.3379
8 C2x C 24.9548 -21.6505
9 C2y C 24.9548 -20.2760
10 C1y C 23.7645 -19.5887
11 C1z C 26.1453 -19.5887
12 C1z C 26.1453 -18.2142
13 C1x C 24.9548 -17.5269
14 C1x C 23.7645 -18.2142
15 C1x C 28.5260 -19.5887
16 C1x C 28.5260 -18.2142
17 C1y C 27.3357 -17.5269
18 C1c C 27.3357 -16.1524
19 C1a C 22.5742 -18.9015
20 O5x O 19.0030 -22.3379
21 C1a C 26.1453 -16.8396
22 C1b C 28.5300 -15.4628
23 C1a C 26.1492 -15.4673
24 C1b C 29.7058 -16.1418
25 C1b C 30.8705 -15.4693
26 C1d C 32.0406 -16.1452
27 C1a C 33.2081 -15.4711
28 C1a C 32.0406 -17.5266
29 O1a O 33.2309 -16.8323
30 O1a O 26.1453 -20.9632
31 O5x O 23.7645 -23.7123
BOND 34
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 2
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 5 19 1 #Up
23 2 20 2
24 12 21 1 #Up
25 18 22 1
26 18 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 26 28 1
32 26 29 1
33 11 30 1 #Down
34 7 31 2
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