COMPOUND: C22118
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Entry
C22118 Compound
Name
4alpha-Formylergosta-7,24(24(1))-dien-3beta-ol
Formula
C29H46O2
Exact mass
426.3498
Mol weight
426.67
Structure
Mol file
KCF file
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Reaction
R12373
R12374
Enzyme
1.14.18.11
Other DBs
PubChem:
405226310
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KCF data
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ATOM 31
1 C1x C 12.6615 -17.1385
2 C1y C 12.6615 -18.5376
3 C1y C 13.8507 -19.2371
4 C1x C 13.8507 -16.4390
5 C1z C 15.0399 -17.1385
6 C1y C 15.0399 -18.5376
7 C1x C 16.1592 -19.2371
8 C2x C 17.4183 -18.5376
9 C1y C 16.2291 -16.5089
10 C2y C 17.4183 -17.1385
11 C1x C 17.4183 -14.4103
12 C1x C 16.2291 -15.1099
13 C1z C 18.5376 -15.1099
14 C1y C 18.5376 -16.5089
15 C1x C 20.9160 -16.5089
16 C1x C 20.9160 -15.1798
17 C1y C 19.7967 -14.4803
18 C1c C 19.7967 -13.0812
19 C1b C 20.9859 -12.3817
20 C1b C 22.1751 -13.0812
21 C2c C 23.4343 -12.3817
22 C1c C 24.5535 -13.0812
23 C1a C 25.7427 -12.3817
24 C1a C 24.5535 -14.4803
25 C2a C 23.4343 -11.0526
26 O1a O 11.4723 -19.2371
27 C1a C 15.0399 -15.8094
28 C1a C 18.4676 -13.7808
29 C1a C 18.6075 -12.3817
30 C4a C 13.8507 -20.5662
31 O4a O 15.1099 -21.2657
BOND 34
1 5 6 1
2 6 7 1
3 7 8 1
4 13 14 1
5 15 16 1
6 16 17 1
7 17 13 1
8 14 15 1
9 8 10 2
10 17 18 1
11 9 5 1
12 18 19 1
13 5 4 1
14 19 20 1
15 4 1 1
16 20 21 1
17 21 22 1
18 1 2 1
19 22 23 1
20 9 10 1
21 22 24 1
22 10 14 1
23 21 25 2
24 13 11 1
25 2 26 1 #Up
26 11 12 1
27 5 27 1 #Up
28 12 9 1
29 13 28 1 #Up
30 2 3 1
31 18 29 1 #Down
32 3 6 1
33 3 30 1 #Down
34 30 31 2
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