Entry
Name
7alpha-Hydroxy-3-oxo-4-cholestenoate
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Mol file KCF file DB search
Reaction
Pathway
Enzyme
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C17337 7alpha-Hydroxy-3-oxo-4-cholestenoate
BRITE hierarchy
Other DBs
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KCF data
Show ATOM 31
1 C5x C 22.7500 -25.7600
2 C2x C 23.8000 -26.4600
3 C2y C 25.0600 -25.7600
4 C1z C 25.0600 -24.3600
5 C1x C 23.8000 -23.6600
6 C1x C 22.7500 -24.3600
7 C1x C 26.2500 -26.4600
8 C1y C 27.4400 -25.7600
9 C1y C 27.4400 -24.3600
10 C1y C 26.2500 -23.6600
11 C1y C 28.6300 -23.6600
12 C1z C 28.6300 -22.3300
13 C1x C 27.4400 -21.7000
14 C1x C 26.2500 -22.3300
15 C1x C 31.0100 -23.6600
16 C1x C 31.0100 -22.3300
17 C1y C 29.8200 -21.7000
18 C1a C 28.7000 -20.7900
19 C1c C 29.8200 -20.3700
20 C1b C 31.0100 -19.6700
21 C1a C 25.0600 -23.0300
22 C1b C 32.2000 -20.3700
23 C1b C 33.3900 -19.6700
24 C1c C 34.5800 -20.3700
25 C1a C 28.8400 -19.3900
26 C6a C 35.7000 -19.6700
27 C1a C 34.5800 -21.7000
28 O1a O 28.6300 -26.4600
29 O5x O 21.5600 -26.4600
30 O6a O 36.9600 -20.3000
31 O6a O 35.6336 -18.2716
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 4 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 12 18 1 #Up
22 17 19 1
23 19 20 1
24 4 21 1 #Up
25 20 22 1
26 22 23 1
27 23 24 1
28 19 25 1 #Down
29 24 26 1
30 24 27 1
31 8 28 1 #Down
32 1 29 2
33 26 30 1
34 26 31 2