COMPOUND: C22117
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Entry
C22117 Compound
Name
4alpha-(Hydroxymethyl)ergosta-7,24(24(1))-dien-3beta-ol
Formula
C29H48O2
Exact mass
428.3654
Mol weight
428.6902
Structure
Mol file
KCF file
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Reaction
R12372
R12373
Enzyme
1.14.18.11
Other DBs
PubChem:
405226309
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KCF data
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ATOM 31
1 C1x C 12.6892 -17.1766
2 C1y C 12.6892 -18.5787
3 C1y C 13.8811 -19.2798
4 C1x C 13.8811 -16.4755
5 C1z C 15.0729 -17.1766
6 C1y C 15.0729 -18.5787
7 C1x C 16.1946 -19.2798
8 C2x C 17.4566 -18.5787
9 C1y C 16.2647 -16.5456
10 C2y C 17.4566 -17.1766
11 C1x C 17.4566 -14.4424
12 C1x C 16.2647 -15.1435
13 C1z C 18.5783 -15.1435
14 C1y C 18.5783 -16.5456
15 C1x C 20.9619 -16.5456
16 C1x C 20.9619 -15.2136
17 C1y C 19.8402 -14.5125
18 C1c C 19.8402 -13.1103
19 C1b C 21.0320 -12.4093
20 C1b C 22.2238 -13.1103
21 C2c C 23.4156 -12.4093
22 C1c C 24.5373 -13.1103
23 C1a C 25.7290 -12.4093
24 C1a C 24.5373 -14.5125
25 C2a C 23.4156 -11.0773
26 O1a O 11.4975 -19.2798
27 C1a C 15.0729 -15.8445
28 C1a C 18.5082 -13.8114
29 C1a C 18.6484 -12.4093
30 C1b C 13.8811 -20.6118
31 O1a O 15.0936 -21.3118
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 1
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