COMPOUND: C21077
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Entry
C21077 Compound
Name
Delta7-Dafachronic acid;
3-Keto-7,(5alpha)-cholestenoic acid;
(25S)-Delta7-Dafachronic acid
Formula
C27H42O3
Exact mass
414.3134
Mol weight
414.62
Structure
Mol file
KCF file
DB search
Pathway
map04212
Longevity regulating pathway - worm
Other DBs
PubChem:
295369339
PDB-CCD:
D7S
[
PDBj
]
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KCF data
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ATOM 30
1 C1x C 12.0895 -17.8505
2 C5x C 12.0895 -19.2224
3 C1x C 13.2776 -19.9085
4 C1y C 14.4658 -19.2224
5 C1z C 14.4658 -17.8505
6 C1x C 13.2776 -17.1645
7 C1x C 15.6540 -19.9085
8 C2x C 16.8421 -19.2224
9 C2y C 16.8421 -17.8505
10 C1y C 15.6540 -17.1645
11 C1y C 18.0304 -17.1645
12 C1z C 18.0304 -15.7925
13 C1x C 16.8421 -15.1065
14 C1x C 15.6540 -15.7925
15 O5x O 10.9013 -19.9085
16 C1x C 20.4067 -17.1645
17 C1x C 20.4067 -15.7925
18 C1y C 19.2185 -15.1065
19 C1c C 19.2185 -13.7346
20 C1b C 20.4107 -13.0463
21 C1b C 21.5842 -13.7240
22 C1b C 22.7468 -13.0527
23 C1c C 23.9148 -13.7273
24 C6a C 25.0801 -13.0545
25 C1a C 23.9148 -15.1062
26 C1a C 18.0343 -13.0508
27 C1a C 14.4658 -16.4785
28 C1a C 18.0304 -14.4205
29 O6a O 26.3252 -13.7731
30 O6a O 25.0806 -11.6810
BOND 33
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 2 15 2
18 11 16 1
19 16 17 1
20 18 17 1
21 12 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 23 25 1 #Up
29 19 26 1 #Down
30 5 27 1 #Up
31 12 28 1 #Up
32 24 29 1
33 24 30 2
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