Entry
Name
(24E)-3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA;
(24E)-3alpha,7alpha-Dihydroxy-5beta-cholest-24-en-26-oyl-CoA
Formula
C48H78N7O19P3S
Exact mass
1181.4286
Mol weight
1182.16
Structure
Mol file KCF file DB search
Reaction
Pathway
Module
M00104 Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
M00862 beta-Oxidation, peroxisome, tri/dihydroxycholestanoyl-CoA => choloyl/chenodeoxycholoyl-CoA
Enzyme
Brite
Lipids [BR:br08002 ]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C05447 (24E)-3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 78
1 S2a S 17.4973 -20.5800
2 C1b C 18.7097 -19.8800
3 C1b C 19.9222 -20.5800
4 N1b N 21.1346 -19.8800
5 C5a C 22.3470 -20.5800
6 C1b C 23.5595 -19.8800
7 C1b C 24.7719 -20.5800
8 N1b N 25.9844 -19.8800
9 C5a C 27.1968 -20.5800
10 C1c C 28.4092 -19.8800
11 C1d C 29.6217 -20.5800
12 C1b C 30.8341 -19.8800
13 O2b O 32.0465 -20.5800
14 O5a O 22.3470 -21.9799
15 O5a O 27.1968 -21.9796
16 O1a O 28.4092 -18.4800
17 C1a C 29.6217 -19.1800
18 C1a C 29.6217 -21.9800
19 P1b P 33.4465 -20.5800
20 O1c O 34.8465 -20.5800
21 O1c O 33.4465 -21.9800
22 C1y C 26.9500 -15.6100
23 C1y C 28.3500 -15.6100
24 C1y C 28.7826 -14.2785
25 O2x O 27.6500 -13.4556
26 C1y C 26.5174 -14.2785
27 C1b C 30.1022 -13.8497
28 O1a O 26.1271 -16.7426
29 O2b O 29.1729 -16.7426
30 P1b P 30.5729 -16.7426
31 O1c O 30.5729 -15.3426
32 O1c O 31.9729 -16.7426
33 O1c O 30.5729 -18.1426
34 C8y C 22.4000 -12.4600
35 C8y C 22.4000 -13.8600
36 N4y N 24.8249 -13.8600
37 C8x C 24.8249 -12.4600
38 N5x N 23.6124 -11.7600
39 C8y C 21.1876 -11.7600
40 N5x N 19.9751 -12.4600
41 C8x C 19.9751 -13.8600
42 N5x N 21.1876 -14.5600
43 N1a N 21.1876 -10.3602
44 O2b O 32.0845 -14.2820
45 P1b P 33.4845 -14.2820
46 O1c O 33.4845 -12.8820
47 O1c O 34.8845 -14.2820
48 O2c O 33.4845 -17.5020
49 C5a C 16.2876 -19.8800
50 C2c C 15.0751 -20.5800
51 C2b C 13.8627 -19.8800
52 C1b C 12.6503 -20.5800
53 C1b C 11.4378 -19.8800
54 C1c C 10.2254 -20.5800
55 O5a O 16.2882 -18.4802
56 C1a C 15.0751 -21.9798
57 C1a C 9.0089 -19.8777
58 C1y C 10.2254 -21.9800
59 C1z C 9.0089 -22.6823
60 C1y C 9.0089 -24.0823
61 C1x C 11.4378 -24.0800
62 C1x C 11.4378 -22.6800
63 C1x C 7.7965 -21.9823
64 C1x C 6.5840 -22.6823
65 C1y C 6.5840 -24.0823
66 C1y C 7.7965 -24.7823
67 C1z C 5.3716 -24.7823
68 C1y C 5.3716 -26.1823
69 C1x C 6.5841 -26.8823
70 C1y C 7.7965 -26.1823
71 C1x C 4.1592 -24.0823
72 C1x C 2.9467 -24.7823
73 C1y C 2.9467 -26.1823
74 C1x C 4.1592 -26.8823
75 O1a O 1.7303 -26.8847
76 C1a C 5.3716 -23.3823
77 C1a C 9.0089 -21.2823
78 O1a O 8.9879 -26.8704
BOND 84
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 50 51 2
54 51 52 1
55 52 53 1
56 53 54 1
57 49 55 2
58 50 56 1
59 54 57 1 #Down
60 54 58 1
61 58 59 1
62 59 60 1
63 60 61 1
64 61 62 1
65 58 62 1
66 59 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 60 66 1
71 65 67 1
72 67 68 1
73 68 69 1
74 69 70 1
75 66 70 1
76 67 71 1
77 71 72 1
78 72 73 1
79 73 74 1
80 68 74 1
81 73 75 1 #Down
82 67 76 1 #Up
83 59 77 1 #Up
84 70 78 1 #Down